CHEBI:177072 - Quercetin 3-(6-O-acetyl-beta-glucoside)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quercetin 3-(6-O-acetyl-beta-glucoside)
ChEBI ID CHEBI:177072
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H22O13
Net Charge 0
Average Mass 506.416
Monoisotopic Mass 506.10604
InChI InChI=1S/C23H22O13/c1-8(24)33-7-15-17(29)19(31)20(32)23(35-15)36-22-18(30)16-13(28)5-10(25)6-14(16)34-21(22)9-2-3-11(26)12(27)4-9/h2-6,15,17,19-20,23,25-29,31-32H,7H2,1H3/t15-,17-,19+,20-,23+/m1/s1
InChIKey IGLUNMMNDNWZOA-LNNZMUSMSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C
ChEBI Ontology
Outgoing Quercetin 3-(6-O-acetyl-beta-glucoside) (CHEBI:177072) is a flavonoids (CHEBI:72544)
Quercetin 3-(6-O-acetyl-beta-glucoside) (CHEBI:177072) is a glycoside (CHEBI:24400)
IUPAC Name
[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
8181964 ChemSpider
HMDB0029271 HMDB
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