Acorusdiol (CHEBI:174334)

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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	Acorusdiol

ChEBI ID	CHEBI:174334

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O3

Net Charge

Average Mass

252.354

Monoisotopic Mass

252.17254

InChI

InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3/t10-,11+,12+,15-/m0/s1

InChIKey

XMGSOQRMWQXOKH-YFCNSXCBSA-N

SMILES

O[C@H]1[C@@]2(CC[C@H](C(=O)C2=C([C@H](O)C1)C)C(C)C)C

ChEBI Ontology
Outgoing	Acorusdiol (CHEBI:174334) is a eudesmane sesquiterpenoid (CHEBI:62508)

IUPAC Name

(2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one