Fudecalone (CHEBI:197752)

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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	Fudecalone

ChEBI ID	CHEBI:197752

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/c1-9-7-11(16)12-14(2,3)5-4-6-15(12)10(9)8-18-13(15)17/h7,10,12-13,17H,4-6,8H2,1-3H3/t10-,12+,13+,15-/m0/s1

InChIKey

HHSBIKHOYFPWGC-ZGFBFQLVSA-N

SMILES

O=C1C=C([C@@H]2CO[C@H]([C@@]32[C@H]1C(CCC3)(C)C)O)C

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: PubMed

ChEBI Ontology
Outgoing	Fudecalone (CHEBI:197752) is a naphthofuran (CHEBI:39270)

IUPAC Name

(1R,3aS,6aR,10aS)-1-hydroxy-4,7,7-trimethyl-3,3a,6a,8,9,10-hexahydro-1H-benzo[d][2]benzouran-6-one