NCGC00169093-01 (CHEBI:183934)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	NCGC00169093-01

ChEBI ID	CHEBI:183934

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

Average Mass

250.338

Monoisotopic Mass

250.15689

InChI

InChI=1S/C15H22O3/c1-9-5-4-6-15(3)8-13(16)11(7-12(9)15)10(2)14(17)18/h11,13,16H,2,4-8H2,1,3H3,(H,17,18)/t11?,13-,15?/m0/s1

InChIKey

MMLPRYWSGSVRRN-QRJNDHJOSA-N

SMILES

O[C@H]1CC2(C(CC1C(C(O)=O)=C)=C(CCC2)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	NCGC00169093-01 (CHEBI:183934) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name

2-[(3S)-3-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid