CHEBI:191637 - 5'-Hydroxycastavinol

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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 5'-Hydroxycastavinol
ChEBI ID CHEBI:191637
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H30O14
Net Charge 0
Average Mass 566.512
Monoisotopic Mass 566.16356
InChI InChI=1S/C26H30O14/c1-9(28)25(2)18-17-12(30)6-11(29)7-14(17)39-26(40-25,10-4-13(31)19(32)15(5-10)36-3)23(18)38-24-22(35)21(34)20(33)16(8-27)37-24/h4-7,16,18,20-24,27,29-35H,8H2,1-3H3
InChIKey ADFRCNLBRJARNV-UHFFFAOYSA-N
SMILES O1C(C2C(OC3OC(C(O)C(O)C3O)CO)C1(OC=4C2=C(O)C=C(O)C4)C=5C=C(OC)C(O)=C(O)C5)(C)C(=O)C
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 5'-Hydroxycastavinol (CHEBI:191637) is a catechin (CHEBI:23053)
IUPAC Name
1-[9-(3,4-dihydroxy-5-methoxyphenyl)-3,5-dihydroxy-11-methyl-12-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone
Manual Xref Database
HMDB0029813 HMDB
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