Acolamone (CHEBI:195974)

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ChEBI Ontology

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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	Acolamone

ChEBI ID	CHEBI:195974

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O

Net Charge

Average Mass

220.356

Monoisotopic Mass

220.18272

InChI

InChI=1S/C15H24O/c1-10(2)12-7-9-15(4)8-5-6-11(3)13(15)14(12)16/h10,12-13H,3,5-9H2,1-2,4H3/t12-,13+,15+/m0/s1

InChIKey

TYQALBNCJWAILN-GZBFAFLISA-N

SMILES

O=C1[C@@]2([C@@](CC[C@H]1C(C)C)(CCCC2=C)C)[H]

ChEBI Ontology
Outgoing	Acolamone (CHEBI:195974) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name

(2S,4aR,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-3,4,5,6,7,8a-hexahydro-2H-naphthalen-1-one