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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Isoorientin 2''-[p-coumaroyl-(->6)-glucoside]
ChEBI ID CHEBI:191708
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H36O18
Net Charge 0
Average Mass 756.666
Monoisotopic Mass 756.19016
InChI InChI=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+
InChIKey MWRFISCXYNYBKS-FPYGCLRLSA-N
SMILES O(C1C(O)C(O)C(OC1C2=C(O)C3=C(OC(=CC3=O)C4=CC(O)=C(O)C=C4)C=C2O)CO)C5OC(C(O)C(O)C5O)COC(=O)/C=C/C6=CC=C(O)C=C6
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0032910 HMDB
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