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CHEBI:196987 - 2''-O-Feruloylorientin

ChEBI IDCHEBI:196987
ChEBI Name2''-O-Feruloylorientin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H28O14
Net Charge0
Average Mass624.551
Monoisotopic Mass624.14791
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)OC(CO)[C@@H](O)[C@H](O)C1OC(=O)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C31H28O14/c1-42-22-8-13(2-5-16(22)34)3-7-24(39)45-31-28(41)27(40)23(12-32)44-30(31)26-19(37)10-18(36)25-20(38)11-21(43-29(25)26)14-4-6-15(33)17(35)9-14/h2-11,23,27-28,30-37,40-41H,12H2,1H3/b7-3+/t23?,27-,28+,30+,31?/m1/s1
InChIKeyDLYIGTJKJDNXEZ-IELLZICOSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
2''-O-Feruloylorientin (CHEBI:196987) is a C-glycosyl compound (CHEBI:20857)
2''-O-Feruloylorientin (CHEBI:196987) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,4S,5S)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
LMPK12110514LIPID MAPS
24843552ChemSpider