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CHEBI:70329 - isoxanthochymol

ChEBI IDCHEBI:70329
ChEBI Nameisoxanthochymol
Stars
DefinitionA natural product found in Rheedia edulis and Garcinia livingstonei.
Last Modified22 September 2014
DownloadsMolfile
FormulaC38H50O6
Net Charge0
Average Mass602.812
Monoisotopic Mass602.36074
SMILESCC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O
InChIInChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27-,37-,38-/m1/s1
InChIKeyKXTNVBQRLRYVCO-OGHRFRAUSA-N
Species of MetaboliteComponentSourceComments
Rheedia edulis (ncbitaxon:156481) seed (BTO:0001226) PubMed (21028890) MeOH extract of powdered seeds
Garcinia livingstonei (ncbitaxon:469932) fruit (BTO:0000486) PubMed (21028890)
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)
isoxanthochymol (CHEBI:70329) has role metabolite (CHEBI:25212)
isoxanthochymol (CHEBI:70329) is a monoterpenoid (CHEBI:25409)
Synonym  Source
9H-4a,8-Methano-2H-cycloocta(b)pyran-9,11-dione, 10-(3,4-dihydroxybenzoyl)-3,4,5,6,7,8-hexahydro-2,2,7,7-tetramethyl-3,6,8-tris(3-methyl-2-butenyl)-, (3R,4aR,6R,8S)-ChEBI
Registry NumbersSources
CAS:52617-33-1ChemIDplus
Citations