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

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ChEBI Name	(+)-Dioxosarcoguaiacol, (rel)-

ChEBI ID	CHEBI:68147

Definition	A natural product found in Acorus calamus and Sarcophyton glaucum.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.33340

Monoisotopic Mass

250.15689

InChI

InChI=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

InChIKey

WXNXTCLYINNSQL-FCHSOHFDSA-N

SMILES

C[C@@H]1CCC2=C1C=C1C(C)(C)OO[C@@]1(O)C[C@H]2C

Metabolite of Species	Details
Acorus calamus (NCBI:txid4465)	Found in rhizome (BTO:0001181). Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether See: PubMed
Sarcophyton glaucum (NCBI:txid70919)	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.

ChEBI Ontology
Outgoing	(+)-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-ol	ChEBI

Citation	Type	Source
21563811	PubMed citation	Europe PMC

Last Modified

22 September 2014

General Comment
2014-10-17	Suggested Classification: ISA:dioxolane(CHEBI:39430); ISA:organooxygen compound(CHEBI:36963);