CHEBI:191648 - 2'-Hydroxyisoorientin

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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 2'-Hydroxyisoorientin
ChEBI ID CHEBI:191648
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O12
Net Charge 0
Average Mass 464.379
Monoisotopic Mass 464.09548
InChI InChI=1S/C21H20O12/c22-5-14-17(28)19(30)20(31)21(33-14)16-11(27)4-13-15(18(16)29)10(26)3-12(32-13)6-1-8(24)9(25)2-7(6)23/h1-4,14,17,19-25,27-31H,5H2
InChIKey VGWBNVOKYXNHPW-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1CO)C2=C(O)C3=C(OC(=CC3=O)C=4C(O)=CC(O)=C(O)C4)C=C2O
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 2'-Hydroxyisoorientin (CHEBI:191648) is a C-glycosyl compound (CHEBI:20857)
2'-Hydroxyisoorientin (CHEBI:191648) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-(2,4,5-trihydroxyphenyl)chromen-4-one
Manual Xrefs Databases
35014039 ChemSpider
HMDB0035883 HMDB
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