CHEBI:70327 - xanthochymol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name xanthochymol
ChEBI ID CHEBI:70327
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:10063
Supplier Information
Download Molfile XML SDF
Formulae C38H50O6
C38H50O6
Net Charge 0
Average Mass 602.80000
Monoisotopic Mass 602.36074
InChI InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27-,28+,37+,38-/m1/s1
InChIKey ZLMZRAYSIVLUPA-AKAMJVKKSA-N
SMILES CC(=C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)=C
Metabolite of Species Details
Rheedia edulis (NCBI:txid156481) Found in seed (BTO:0001226). MeOH extract of powdered seeds See: PubMed
Garcinia livingstonei (NCBI:txid469932) Found in fruit (BTO:0000486). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing xanthochymol (CHEBI:70327) has role metabolite (CHEBI:25212)
xanthochymol (CHEBI:70327) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Bicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-(1alpha,5alpha,5(S*),7beta)) ChEBI
Xanthochymol KEGG COMPOUND
Manual Xrefs Databases
C00003023 KNApSAcK
C09979 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
52617-32-0 CAS Registry Number KEGG COMPOUND
52617-32-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21028890 PubMed citation Europe PMC
Last Modified
28 July 2014