CHEBI:176268 - 2'',3''-Di-O-p-coumaroylafzelin

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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 2'',3''-Di-O-p-coumaroylafzelin
ChEBI ID CHEBI:176268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C39H32O14
Net Charge 0
Average Mass 724.671
Monoisotopic Mass 724.17921
InChI InChI=1S/C39H32O14/c1-20-33(47)36(51-30(45)16-6-21-2-10-24(40)11-3-21)38(52-31(46)17-7-22-4-12-25(41)13-5-22)39(49-20)53-37-34(48)32-28(44)18-27(43)19-29(32)50-35(37)23-8-14-26(42)15-9-23/h2-20,33,36,38-44,47H,1H3/b16-6+,17-7+
InChIKey HKZIBACORRUGAC-KGMKFKQSSA-N
SMILES O1C(C(O)C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)/C=C/C3=CC=C(O)C=C3)C1OC4=C(OC=5C(C4=O)=C(O)C=C(O)C5)C6=CC=C(O)C=C6)C
ChEBI Ontology
Outgoing 2'',3''-Di-O-p-coumaroylafzelin (CHEBI:176268) is a flavonoids (CHEBI:72544)
2'',3''-Di-O-p-coumaroylafzelin (CHEBI:176268) is a glycoside (CHEBI:24400)
IUPAC Name
[2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-6-methyloxan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
4478665 ChemSpider
HMDB0039928 HMDB
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