3alpha-Hydroxyoreadone (CHEBI:166554)

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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	3alpha-Hydroxyoreadone

ChEBI ID	CHEBI:166554

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O4

Net Charge

Average Mass

252.310

Monoisotopic Mass

252.13616

InChI

InChI=1S/C14H20O4/c1-14(2)8-4-3-7-6-18-13(17)11(7)12(8)9(15)5-10(14)16/h3,8,10-13,16-17H,4-6H2,1-2H3

InChIKey

QWJVXAZUVABFEO-UHFFFAOYSA-N

SMILES

O1C(O)C2C3C(C(C(O)CC3=O)(C)C)CC=C2C1

Metabolite of Species	Details
Marasmius oreades (NCBI:txid181124)	See: DOI

ChEBI Ontology
Outgoing	3alpha-Hydroxyoreadone (CHEBI:166554) is a naphthofuran (CHEBI:39270)

IUPAC Names

(1S,5aR,7R,9aS,9bR)-1,7-dihydroxy-6,6-dimethyl-1,3,5,5a,7,8,9a,9b-octahydrobenzo[e][2]benzouran-9-one

1,7-dihydroxy-6,6-dimethyl-1,3,5,5a,7,8,9a,9b-octahydrobenzo[e][2]benzouran-9-one