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CHEBI:70327 - xanthochymol

Default Structure
ChEBI IDCHEBI:70327
ChEBI Namexanthochymol
Stars
Secondary ChEBI IDCHEBI:10063
Last Modified28 July 2014
DownloadsMolfile
FormulaC38H50O6
Net Charge0
Average Mass602.812
Monoisotopic Mass602.36074
SMILESC=C(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
InChIInChI=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
InChIKeyZLMZRAYSIVLUPA-AKAMJVKKSA-N
Species of MetaboliteComponentSourceComments
Garcinia livingstonei (ncbitaxon:469932) fruit (BTO:0000486) PubMed (21028890)
Rheedia edulis (ncbitaxon:156481) seed (BTO:0001226) PubMed (21028890) MeOH extract of powdered seeds
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
xanthochymol (CHEBI:70327) has role metabolite (CHEBI:25212)
xanthochymol (CHEBI:70327) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
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
XanthochymolKEGG COMPOUND
Manual XrefsDatabases
C00003023KNApSAcK
C09979KEGG COMPOUND
Registry NumbersSources
CAS:52617-32-0KEGG COMPOUND
CAS:52617-32-0ChemIDplus
Citations