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CHEBI:176241 - 6''-p-Coumaroylprunin

ChEBI IDCHEBI:176241
ChEBI Name6''-p-Coumaroylprunin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O12
Net Charge0
Average Mass580.542
Monoisotopic Mass580.15808
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1OC(Oc2cc(O)c3c(c2)OC(c2ccc(O)cc2)CC3=O)C(O)C(O)C1O
InChIInChI=1S/C30H28O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-12,22,24,27-33,36-38H,13-14H2/b10-3+
InChIKeyPLORCKNHUZJPKH-XCVCLJGOSA-N
ChEBI Ontology
Outgoing Relation(s)
6''-p-Coumaroylprunin (CHEBI:176241) is a flavonoids (CHEBI:72544)
6''-p-Coumaroylprunin (CHEBI:176241) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037583HMDB
4873987ChemSpider