Oblongolide C (CHEBI:204332)

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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	Oblongolide C

ChEBI ID	CHEBI:204332

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O3

Net Charge

Average Mass

236.311

Monoisotopic Mass

236.14124

InChI

InChI=1S/C14H20O3/c1-9-3-4-11-10(7-9)5-6-14(16)8-17-12(15)13(11,14)2/h5-6,9-11,16H,3-4,7-8H2,1-2H3/t9-,10-,11-,13-,14-/m0/s1

InChIKey

QSSKWTDLXGNHNM-GRLWGSQLSA-N

SMILES

O=C1OC[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C=C2)C)O

Metabolite of Species	Details
Phomopsisspecies (NCBI:txid1715245)	See: DOI

ChEBI Ontology
Outgoing	Oblongolide C (CHEBI:204332) is a naphthofuran (CHEBI:39270)

IUPAC Name

(3aR,5aR,7S,9aS,9bR)-3a-hydroxy-7,9b-dimethyl-5a,6,7,8,9,9a-hexahydro-3H-benzo[g][2]benzouran-1-one