CHEBI:176210 - 3'',4''-Diacetylafzelin

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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 3'',4''-Diacetylafzelin
ChEBI ID CHEBI:176210
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H24O12
Net Charge 0
Average Mass 516.455
Monoisotopic Mass 516.12678
InChI InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3
InChIKey SXOZSDJHGMAEGZ-UHFFFAOYSA-N
SMILES O1C(C(OC(=O)C)C(OC(=O)C)C(O)C1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)C
ChEBI Ontology
Outgoing 3'',4''-Diacetylafzelin (CHEBI:176210) is a flavonoids (CHEBI:72544)
3'',4''-Diacetylafzelin (CHEBI:176210) is a glycoside (CHEBI:24400)
IUPAC Name
[4-acetyloxy-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Manual Xrefs Databases
21613100 ChemSpider
HMDB0040139 HMDB
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