beta-Costic acid (CHEBI:196135)

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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	beta-Costic acid

ChEBI ID	CHEBI:196135

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H22O2

Net Charge

Average Mass

234.339

Monoisotopic Mass

234.16198

InChI

InChI=1S/C15H22O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h12-13H,1-2,4-9H2,3H3,(H,16,17)/t12-,13+,15-/m1/s1

InChIKey

UJQGVDNQDFTTLZ-VNHYZAJKSA-N

SMILES

OC(=O)C([C@H]1C[C@@]2([C@@](CC1)(CCCC2=C)C)[H])=C

ChEBI Ontology
Outgoing	beta-Costic acid (CHEBI:196135) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name

2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid