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CHEBI:176125 - 4-O-8',5'-5''-Dehydrotriferulic acid

ChEBI IDCHEBI:176125
ChEBI Name4-O-8',5'-5''-Dehydrotriferulic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O12
Net Charge0
Average Mass578.526
Monoisotopic Mass578.14243
SMILESCOc1cc(/C=C/C(=O)O)ccc1O/C(=C\c1cc(OC)c(O)c(-c2cc(/C=C/C(=O)O)cc(OC)c2O)c1)C(=O)O
InChIInChI=1S/C30H26O12/c1-39-22-12-16(5-8-26(31)32)4-7-21(22)42-25(30(37)38)15-18-11-20(29(36)24(14-18)41-3)19-10-17(6-9-27(33)34)13-23(40-2)28(19)35/h4-15,35-36H,1-3H3,(H,31,32)(H,33,34)(H,37,38)/b8-5+,9-6+,25-15-
InChIKeyPIXLMMCJKULCET-VVYRROKUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-O-8',5'-5''-Dehydrotriferulic acid (CHEBI:176125) is a biphenyls (CHEBI:22888)
IUPAC Name 
(Z)-3-[3-[5-[(E)-2-carboxyethenyl]-2-hydroxy-3-methoxyphenyl]-4-hydroxy-5-methoxyphenyl]-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]prop-2-enoic acid
Manual XrefsDatabases
28637678ChemSpider
HMDB0029298HMDB