Fenilpropanoides y policétidos
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trans-Cinamaldehído, 99 %, Thermo Scientific Chemicals
CAS: 14371-10-9 Fórmula molecular: C9H8O Peso molecular (g/mol): 132.16 Número MDL: MFCD00007000 Clave InChI: KJPRLNWUNMBNBZ-QPJJXVBHSA-N Sinónimo: cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal PubChem CID: 637511 ChEBI: CHEBI:16731 SMILES: O=C\C=C\C1=CC=CC=C1
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| Sinónimo | cinnamaldehyde,trans-cinnamaldehyde,cinnamic aldehyde,e-cinnamaldehyde,cinnamal,3-phenylacrylaldehyde,zimtaldehyde,cinnamylaldehyde,3-phenylpropenal,2e-3-phenylprop-2-enal |
|---|---|
| Clave InChI | KJPRLNWUNMBNBZ-QPJJXVBHSA-N |
| PubChem CID | 637511 |
| Fórmula molecular | C9H8O |
| CAS | 14371-10-9 |
| ChEBI | CHEBI:16731 |
| Peso molecular (g/mol) | 132.16 |
| Número MDL | MFCD00007000 |
| SMILES | O=C\C=C\C1=CC=CC=C1 |
Ácido 4-isobutil-alfa-metilfenilacético, 99 %, Thermo Scientific Chemicals
CAS: 15687-27-1 Fórmula molecular: C13H18O2 Peso molecular (g/mol): 206.29 Número MDL: MFCD00010393 Clave InChI: HEFNNWSXXWATRW-UHFFFAOYNA-N Sinónimo: ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen PubChem CID: 3672 ChEBI: CHEBI:5855 Nombre IUPAC: ácido 2-[4-(2-metilpropil)fenil]propanoico SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
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| Sinónimo | ibuprofen,2-4-isobutylphenyl propanoic acid,motrin,brufen,nurofen,advil,dolgit,liptan,nuprin,anflagen |
|---|---|
| Clave InChI | HEFNNWSXXWATRW-UHFFFAOYNA-N |
| PubChem CID | 3672 |
| Fórmula molecular | C13H18O2 |
| CAS | 15687-27-1 |
| ChEBI | CHEBI:5855 |
| Peso molecular (g/mol) | 206.29 |
| Número MDL | MFCD00010393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| Nombre IUPAC | ácido 2-[4-(2-metilpropil)fenil]propanoico |
4-Metilumbeliferona, 97 %, Thermo Scientific Chemicals
CAS: 90-33-5 Fórmula molecular: C10H8O3 Peso molecular (g/mol): 176.17 Número MDL: MFCD00006866 Clave InChI: HSHNITRMYYLLCV-UHFFFAOYSA-N Sinónimo: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 Nombre IUPAC: 7-hidroxi-4-metilcromen-2-ona SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12
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| Sinónimo | 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic |
|---|---|
| Clave InChI | HSHNITRMYYLLCV-UHFFFAOYSA-N |
| PubChem CID | 5280567 |
| Fórmula molecular | C10H8O3 |
| CAS | 90-33-5 |
| ChEBI | CHEBI:17224 |
| Peso molecular (g/mol) | 176.17 |
| Número MDL | MFCD00006866 |
| SMILES | CC1=CC(=O)OC2=CC(O)=CC=C12 |
| Nombre IUPAC | 7-hidroxi-4-metilcromen-2-ona |
Hidrato de Rutina, + 97 %, Thermo Scientific Chemicals
CAS: 207671-50-9 Fórmula molecular: C27H30O16 Peso molecular (g/mol): 610.52 Número MDL: MFCD01319140 Clave InChI: IKGXIBQEEMLURG-NVPNHPEKSA-N Sinónimo: rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid PubChem CID: 5280805 ChEBI: CHEBI:28527 Nombre IUPAC: 2-(3,4-dihidroxifenil)-5,7-dihidroxi-3-[(2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihidroxi-6-metiloxan-2-il]oximetil]oxan-2-il]oxicromen-4-ona SMILES: C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
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| Sinónimo | rutin,rutoside,phytomelin,quercetin 3-rutinoside,birutan,eldrin,myrticolorin,venoruton,3-rutinosyl quercetin,bioflavonoid |
|---|---|
| Clave InChI | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| PubChem CID | 5280805 |
| Fórmula molecular | C27H30O16 |
| CAS | 207671-50-9 |
| ChEBI | CHEBI:28527 |
| Peso molecular (g/mol) | 610.52 |
| Número MDL | MFCD01319140 |
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| Nombre IUPAC | 2-(3,4-dihidroxifenil)-5,7-dihidroxi-3-[(2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihidroxi-6-metiloxan-2-il]oximetil]oxan-2-il]oxicromen-4-ona |
Thermo Scientific Chemicals 4-Dimetilaminocinamaldehído, 98 %
CAS: 6203-18-5 Fórmula molecular: C11H13NO Peso molecular (g/mol): 175.23 Número MDL: MFCD00007002 Clave InChI: RUKJCCIJLIMGEP-ONEGZZNKSA-N Sinónimo: 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent PubChem CID: 5284506 Nombre IUPAC: (E)-3-[4-(dimetilamino)fenil]prop-2-enal SMILES: CN(C)C1=CC=C(C=C1)C=CC=O
| Sinónimo | 4-dimethylamino cinnamaldehyde,4-dimethylaminocinnamaldehyde,p-dimethylaminocinnamaldehyde,3-4-dimethylamino phenyl acrylaldehyde,4-dimethylcinnamaldehyde,p-dimethylaminocinnamic aldehyde,p-dimethylamino cinnamaldehyde,cinnamaldehyde, p-dimethylamino,unii-9rsi7wz9f0,dmaca reagent |
|---|---|
| Clave InChI | RUKJCCIJLIMGEP-ONEGZZNKSA-N |
| PubChem CID | 5284506 |
| Fórmula molecular | C11H13NO |
| CAS | 6203-18-5 |
| Peso molecular (g/mol) | 175.23 |
| Número MDL | MFCD00007002 |
| SMILES | CN(C)C1=CC=C(C=C1)C=CC=O |
| Nombre IUPAC | (E)-3-[4-(dimetilamino)fenil]prop-2-enal |
Curcumina, 95 %, Thermo Scientific Chemicals
CAS: 458-37-7 Fórmula molecular: C21H20O6 Peso molecular (g/mol): 368.39 Número MDL: MFCD00008365 Clave InChI: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Sinónimo: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 Nombre IUPAC: (1E,6E)-1,7-bis(4-hidroxi-3-metoxifenil)hepta-1,6-dieno-3,5-diona SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
| Sinónimo | curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i |
|---|---|
| Clave InChI | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
| PubChem CID | 969516 |
| Fórmula molecular | C21H20O6 |
| CAS | 458-37-7 |
| ChEBI | CHEBI:3962 |
| Peso molecular (g/mol) | 368.39 |
| Número MDL | MFCD00008365 |
| SMILES | COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O |
| Nombre IUPAC | (1E,6E)-1,7-bis(4-hidroxi-3-metoxifenil)hepta-1,6-dieno-3,5-diona |
Hidrato de morina, Thermo Scientific Chemicals
CAS: 654055-01-3 Fórmula molecular: C15H10O7 Peso molecular (g/mol): 302.24 Número MDL: MFCD00217054 Clave InChI: YXOLAZRVSSWPPT-UHFFFAOYSA-N Sinónimo: morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone PubChem CID: 16219651 Nombre IUPAC: 2-(2,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; hidrato SMILES: OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
| Sinónimo | morin hydrate,morinhydrate,bois d,arc hydrate,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,morin hydrate, powder,morin flavonol,morin hydrate aurantica,2-2,4-dihydroxyphenyl-3,5,7-trihydroxy-chromen-4-one hydrate,2 inverted exclamation marka,3,4 inverted exclamation marka,5,7-pentahydroxyflavone |
|---|---|
| Clave InChI | YXOLAZRVSSWPPT-UHFFFAOYSA-N |
| PubChem CID | 16219651 |
| Fórmula molecular | C15H10O7 |
| CAS | 654055-01-3 |
| Peso molecular (g/mol) | 302.24 |
| Número MDL | MFCD00217054 |
| SMILES | OC1=CC(O)=C(C=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1 |
| Nombre IUPAC | 2-(2,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; hidrato |
Ácido trans-4-hidroxi-3-metoxicinámico, 99 %, Thermo Scientific Chemicals
CAS: 537-98-4 Fórmula molecular: C10H10O4 Peso molecular (g/mol): 194.19 Número MDL: MFCD00004400 Clave InChI: KSEBMYQBYZTDHS-HWKANZROSA-N Sinónimo: ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl PubChem CID: 445858 ChEBI: CHEBI:17620 Nombre IUPAC: ácido (E)-3-(4-hidroxi-3-metoxifenil)prop-2-enoico SMILES: COC1=CC(\C=C\C(O)=O)=CC=C1O
| Sinónimo | ferulic acid,trans-ferulic acid,4-hydroxy-3-methoxycinnamic acid,trans-4-hydroxy-3-methoxycinnamic acid,3-4-hydroxy-3-methoxyphenyl acrylic acid,e-ferulic acid,coniferic acid,ferulate,ferulic acid, trans,2-propenoic acid, 3-4-hydroxy-3-methoxyphenyl |
|---|---|
| Clave InChI | KSEBMYQBYZTDHS-HWKANZROSA-N |
| PubChem CID | 445858 |
| Fórmula molecular | C10H10O4 |
| CAS | 537-98-4 |
| ChEBI | CHEBI:17620 |
| Peso molecular (g/mol) | 194.19 |
| Número MDL | MFCD00004400 |
| SMILES | COC1=CC(\C=C\C(O)=O)=CC=C1O |
| Nombre IUPAC | ácido (E)-3-(4-hidroxi-3-metoxifenil)prop-2-enoico |
3',4',5,7-tetrahidroxiflavona, 97 %, Thermo Scientific Chemicals
CAS: 491-70-3 Fórmula molecular: C15H10O6 Peso molecular (g/mol): 286.239 Número MDL: MFCD00017309 Clave InChI: IQPNAANSBPBGFQ-UHFFFAOYSA-N Sinónimo: luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide PubChem CID: 5280445 ChEBI: CHEBI:15864 Nombre IUPAC: 2-(3,4-dihidroxifenil)-5,7-dihidroxicromen-4-ona SMILES: C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O
| Sinónimo | luteolin,3',4',5,7-tetrahydroxyflavone,2-3,4-dihydroxyphenyl-5,7-dihydroxy-4h-chromen-4-one,digitoflavone,luteolol,flacitran,luteoline,weld lake,cyanidenon 1470,salifazide |
|---|---|
| Clave InChI | IQPNAANSBPBGFQ-UHFFFAOYSA-N |
| PubChem CID | 5280445 |
| Fórmula molecular | C15H10O6 |
| CAS | 491-70-3 |
| ChEBI | CHEBI:15864 |
| Peso molecular (g/mol) | 286.239 |
| Número MDL | MFCD00017309 |
| SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O)O |
| Nombre IUPAC | 2-(3,4-dihidroxifenil)-5,7-dihidroxicromen-4-ona |
Daidzeína, 98 %, Thermo Scientific Chemicals
CAS: 486-66-8 Fórmula molecular: C15H10O4 Peso molecular (g/mol): 254.24 Número MDL: MFCD00016954 Clave InChI: ZQSIJRDFPHDXIC-UHFFFAOYSA-N Sinónimo: daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone PubChem CID: 5281708 ChEBI: CHEBI:28197 Nombre IUPAC: 7-hidroxi-3-(4-hidroxifenil)cromen-4-ona SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
| Sinónimo | daidzein,4',7-dihydroxyisoflavone,daidzeol,7,4'-dihydroxyisoflavone,7-hydroxy-3-4-hydroxyphenyl-4h-chromen-4-one,diadzein,7-hydroxy-3-4-hydroxyphenyl-4h-1-benzopyran-4-one,4h-1-benzopyran-4-one, 7-hydroxy-3-4-hydroxyphenyl,7-hydroxy-3-4-hydroxyphenyl chromen-4-one,7-hydroxy-3-4-hydroxyphenyl-4-benzopyrone |
|---|---|
| Clave InChI | ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
| PubChem CID | 5281708 |
| Fórmula molecular | C15H10O4 |
| CAS | 486-66-8 |
| ChEBI | CHEBI:28197 |
| Peso molecular (g/mol) | 254.24 |
| Número MDL | MFCD00016954 |
| SMILES | C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O |
| Nombre IUPAC | 7-hidroxi-3-(4-hidroxifenil)cromen-4-ona |
Thermo Scientific Chemicals Curcumina (mezcla de curcumina, demetoxicurcumina y bisdemetoxicurcumina), 96%
CAS: 458-37-7 Fórmula molecular: C21H20O6 Peso molecular (g/mol): 368.39 Número MDL: MFCD00008365 Clave InChI: ZIUSSTSXXLLKKK-KOBPDPAPSA-N Sinónimo: curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i PubChem CID: 969516 ChEBI: CHEBI:3962 SMILES: COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O
| Sinónimo | curcumin,diferuloylmethane,natural yellow 3,turmeric yellow,turmeric,curcuma,kacha haldi,gelbwurz,halad,curcumin i |
|---|---|
| Clave InChI | ZIUSSTSXXLLKKK-KOBPDPAPSA-N |
| PubChem CID | 969516 |
| Fórmula molecular | C21H20O6 |
| CAS | 458-37-7 |
| ChEBI | CHEBI:3962 |
| Peso molecular (g/mol) | 368.39 |
| Número MDL | MFCD00008365 |
| SMILES | COC1=CC(\C=C\C(\O)=C\C(=O)\C=C\C2=CC=C(O)C(OC)=C2)=CC=C1O |
Salicilato de fenil, 99 %, Thermo Scientific Chemicals
CAS: 118-55-8 Fórmula molecular: C13H10O3 Peso molecular (g/mol): 214.22 Clave InChI: ZQBAKBUEJOMQEX-UHFFFAOYSA-N Sinónimo: phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate PubChem CID: 8361 ChEBI: CHEBI:34918 Nombre IUPAC: fenil 2-hidroxibenzoato SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
| Sinónimo | phenyl salicylate,salol,phenol salicylate,salphenyl,musol,2-phenoxycarbonylphenol,benzoic acid, 2-hydroxy-, phenyl ester,salicylic acid, phenyl ester,2-hydroxybenzoic acid phenyl ester,phenyl-2-hydroxybenzoate |
|---|---|
| Clave InChI | ZQBAKBUEJOMQEX-UHFFFAOYSA-N |
| PubChem CID | 8361 |
| Fórmula molecular | C13H10O3 |
| CAS | 118-55-8 |
| ChEBI | CHEBI:34918 |
| Peso molecular (g/mol) | 214.22 |
| SMILES | C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O |
| Nombre IUPAC | fenil 2-hidroxibenzoato |
Quercetina hidrato, 95 %, Thermo Scientific Chemicals
CAS: 849061-97-8 Fórmula molecular: C15H10O7 Peso molecular (g/mol): 302.24 Número MDL: MFCD03847906 Clave InChI: REFJWTPEDVJJIY-UHFFFAOYSA-N Sinónimo: quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate PubChem CID: 16212154 Nombre IUPAC: 2-(3,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; hidrato SMILES: OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1
| Sinónimo | quercetin hydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one hydrate,quercetinhydrate,quercetine sophoretin /,regid_for_cid_747934,regid_for_cid_16212154,3,3;,4;,5,7-pentahydroxyflavon,2-3,4-dihydroxyphenyl-3,5,7-trihydroxychromen-4-one, hydrate |
|---|---|
| Clave InChI | REFJWTPEDVJJIY-UHFFFAOYSA-N |
| PubChem CID | 16212154 |
| Fórmula molecular | C15H10O7 |
| CAS | 849061-97-8 |
| Peso molecular (g/mol) | 302.24 |
| Número MDL | MFCD03847906 |
| SMILES | OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 |
| Nombre IUPAC | 2-(3,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; hidrato |
Hidrato de esculina, 97 %, Thermo Scientific Chemicals
CAS: 531-75-9 Fórmula molecular: C15H16O9 Peso molecular (g/mol): 340.28 Número MDL: MFCD00149492 Clave InChI: XHCADAYNFIFUHF-TYKRLAFXNA-N Sinónimo: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 Nombre IUPAC: 7-hidroxi-6-[(2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-(hidroximetil)oxan-2-il]oxicromen-2-ona SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
| Sinónimo | esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside |
|---|---|
| Clave InChI | XHCADAYNFIFUHF-TYKRLAFXNA-N |
| PubChem CID | 5281417 |
| Fórmula molecular | C15H16O9 |
| CAS | 531-75-9 |
| ChEBI | CHEBI:4853 |
| Peso molecular (g/mol) | 340.28 |
| Número MDL | MFCD00149492 |
| SMILES | OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| Nombre IUPAC | 7-hidroxi-6-[(2S,3R,4S,5S,6R)-3,4,5-trihidroxi-6-(hidroximetil)oxan-2-il]oxicromen-2-ona |
Dihidrato de quercetina, 97 %, Thermo Scientific Chemicals
CAS: 6151-25-3 Fórmula molecular: C15H14O9 Peso molecular (g/mol): 338.27 Número MDL: MFCD00149487 Clave InChI: GMGIWEZSKCNYSW-UHFFFAOYSA-N Sinónimo: quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate PubChem CID: 5284452 Nombre IUPAC: 2-(3,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; dihidrato SMILES: O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1
| Sinónimo | quercetin dihydrate,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-chromen-4-one dihydrate,quercetine dihydrate,quercetin, dihydrate,ccris 3304,3,3',4',5,7-pentahydroxyflavone dihydrate,quercetin dihydrate sophoretin,flavone, 3,3',4',5,7-pentahydroxy-, dihydrate,dsstox_cid_1219,2-3,4-dihydroxyphenyl-3,5,7-trihydroxy-4h-1-benzopyran-4-one dihydrate |
|---|---|
| Clave InChI | GMGIWEZSKCNYSW-UHFFFAOYSA-N |
| PubChem CID | 5284452 |
| Fórmula molecular | C15H14O9 |
| CAS | 6151-25-3 |
| Peso molecular (g/mol) | 338.27 |
| Número MDL | MFCD00149487 |
| SMILES | O.O.OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC=C(O)C(O)=C2)=C1 |
| Nombre IUPAC | 2-(3,4-dihidroxifenilo)-3,5,7-trihidroxicromen-4-ona; dihidrato |