Oxaspirodion (CHEBI:219257)

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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	Oxaspirodion

ChEBI ID	CHEBI:219257

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H14O5

Net Charge

Average Mass

250.250

Monoisotopic Mass

250.08412

InChI

InChI=1S/C13H14O5/c1-3-4-8-5-6-9(14)11(16)13(8)10(15)7(2)18-12(13)17/h3-8,11,16H,1-2H3/b4-3+/t7?,8-,11+,13?/m1/s1

InChIKey

XVPWAOPLQPCZBW-QKDXUVBESA-N

SMILES

O=C1C=C[C@@H](/C=C/C)C2([C@H]1O)C(=O)OC(C2=O)C

Metabolite of Species	Details
Pseudohumicola subsp.ralis (NCBI:txid2074845)	See: PubMed

ChEBI Ontology
Outgoing	Oxaspirodion (CHEBI:219257) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(6R,10R)-6-hydroxy-3-methyl-10-[(E)-prop-1-enyl]-2-oxaspiro[4.5]dec-8-ene-1,4,7-trione