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CHEBI:68147 - (+)-Dioxosarcoguaiacol, (rel)-

ChEBI IDCHEBI:68147
ChEBI Name(+)-Dioxosarcoguaiacol, (rel)-
Stars
DefinitionA natural product found in Acorus calamus and Sarcophyton glaucum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C
InChIInChI=1S/C15H22O3/c1-9-5-6-11-10(2)8-15(16)13(7-12(9)11)14(3,4)17-18-15/h7,9-10,16H,5-6,8H2,1-4H3/t9-,10-,15+/m1/s1
InChIKeyWXNXTCLYINNSQL-FCHSOHFDSA-N
Species of MetaboliteComponentSourceComments
Sarcophyton glaucum (ncbitaxon:70919) - PubMed (21563811)
Acorus calamus (ncbitaxon:4465) rhizome (BTO:0001181) PubMed (21563811) Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether
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)
(+)-Dioxosarcoguaiacol, (rel)- (CHEBI:68147) has role metabolite (CHEBI:25212)
(+)-Dioxosarcoguaiacol, (rel)- (CHEBI:68147) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
rel-(5R,8R,9aS)-3,3,5,8-Tetramethyl-3,5,6,7,8,9-hexahydro-9aH-azuleno[6,5-c][1,2]dioxol-9a-olChEBI
Citations