Cadabicilone (CHEBI:174307)

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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	Cadabicilone

ChEBI ID	CHEBI:174307

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/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h8-10,12-13H,4-7H2,1-3H3

InChIKey

BXRGGUXPWTWACZ-UHFFFAOYSA-N

SMILES

O1C2C3C(CCC2C(C1=O)C)(CCC(=O)C3C)C

ChEBI Ontology
Outgoing	Cadabicilone (CHEBI:174307) is a sesquiterpene lactone (CHEBI:37667)

IUPAC Name

3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzouran-2,8-dione