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CHEBI:181799 - MCULE-7899134902

ChEBI IDCHEBI:181799
ChEBI NameMCULE-7899134902
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O11
Net Charge0
Average Mass564.543
Monoisotopic Mass564.16316
SMILESO=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](Oc2ccc(/C=C/C(=O)c3ccc(O)cc3O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C30H28O11/c31-19-7-1-17(2-8-19)6-14-26(35)39-16-25-27(36)28(37)29(38)30(41-25)40-21-10-3-18(4-11-21)5-13-23(33)22-12-9-20(32)15-24(22)34/h1-15,25,27-32,34,36-38H,16H2/b13-5+,14-6+/t25-,27-,28+,29-,30-/m1/s1
InChIKeyFCYCVETXTGWXBR-CMUGPJGNSA-N
ChEBI Ontology
Outgoing Relation(s)
MCULE-7899134902 (CHEBI:181799) is a flavonoids (CHEBI:72544)
MCULE-7899134902 (CHEBI:181799) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3S,4S,5R,6S)-6-[4-[(E)-3-(2,4-dihydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
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