CHEBI:191789 - 6''-Caffeoylisoorientin

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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 6''-Caffeoylisoorientin
ChEBI ID CHEBI:191789
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H26O14
Net Charge 0
Average Mass 610.524
Monoisotopic Mass 610.13226
InChI InChI=1S/C30H26O14/c31-14-4-1-12(7-16(14)33)2-6-23(37)42-11-22-26(38)28(40)29(41)30(44-22)25-19(36)10-21-24(27(25)39)18(35)9-20(43-21)13-3-5-15(32)17(34)8-13/h1-10,22,26,28-34,36,38-41H,11H2/b6-2+
InChIKey AINXWDZMEIYUSK-QHHAFSJGSA-N
SMILES O1C(C(O)C(O)C(O)C1COC(=O)/C=C/C2=CC(O)=C(O)C=C2)C3=C(O)C4=C(OC(=CC4=O)C5=CC(O)=C(O)C=C5)C=C3O
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing 6''-Caffeoylisoorientin (CHEBI:191789) is a C-glycosyl compound (CHEBI:20857)
6''-Caffeoylisoorientin (CHEBI:191789) is a flavonoids (CHEBI:72544)
IUPAC Name
[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-6-yl]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Manual Xrefs Databases
35013521 ChemSpider
HMDB0033004 HMDB
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