EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178140 - 6''-Caffeoylhyperin

ChEBI IDCHEBI:178140
ChEBI Name6''-Caffeoylhyperin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H26O15
Net Charge0
Average Mass626.523
Monoisotopic Mass626.12717
SMILESO=C(/C=C/c1ccc(O)c(O)c1)OCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C30H26O15/c31-14-9-19(36)23-20(10-14)43-28(13-3-5-16(33)18(35)8-13)29(25(23)39)45-30-27(41)26(40)24(38)21(44-30)11-42-22(37)6-2-12-1-4-15(32)17(34)7-12/h1-10,21,24,26-27,30-36,38,40-41H,11H2/b6-2+
InChIKeyIHBVMUCQCZEAPW-QHHAFSJGSA-N
Species of MetaboliteComponentSourceComments
Arisaema erubescens (ncbitaxon:228806) bulb (BTO:0000159) MetaboLights (MTBLS2858)
ChEBI Ontology
Outgoing Relation(s)
6''-Caffeoylhyperin (CHEBI:178140) is a flavonoid (CHEBI:47916)
6''-Caffeoylhyperin (CHEBI:178140) is a glycoside (CHEBI:24400)
IUPAC Name 
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0037539HMDB