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CHEBI:191708 - Isoorientin 2''-[p-coumaroyl-(->6)-glucoside]

ChEBI IDCHEBI:191708
ChEBI NameIsoorientin 2''-[p-coumaroyl-(->6)-glucoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H36O18
Net Charge0
Average Mass756.666
Monoisotopic Mass756.19016
SMILESO=C(/C=C/c1ccc(O)cc1)OCC1OC(OC2C(c3c(O)cc4oc(-c5ccc(O)c(O)c5)cc(=O)c4c3O)OC(CO)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C36H36O18/c37-12-23-28(44)32(48)35(54-36-33(49)31(47)29(45)24(53-36)13-50-25(43)8-3-14-1-5-16(38)6-2-14)34(52-23)27-20(42)11-22-26(30(27)46)19(41)10-21(51-22)15-4-7-17(39)18(40)9-15/h1-11,23-24,28-29,31-40,42,44-49H,12-13H2/b8-3+
InChIKeyMWRFISCXYNYBKS-FPYGCLRLSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] (CHEBI:191708) is a C-glycosyl compound (CHEBI:20857)
Isoorientin 2''-[p-coumaroyl-(->6)-glucoside] (CHEBI:191708) is a flavonoids (CHEBI:72544)
IUPAC Name 
[6-[2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0032910HMDB