Oblongolide I (CHEBI:222622)

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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 I

ChEBI ID	CHEBI:222622

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O3

Net Charge

Average Mass

234.295

Monoisotopic Mass

234.12559

InChI

InChI=1S/C14H18O3/c1-8-3-4-11-10(5-8)12(15)6-9-7-17-13(16)14(9,11)2/h6,8,10-11H,3-5,7H2,1-2H3/t8-,10-,11-,14-/m0/s1

InChIKey

YTHVCRZNSXHBAK-AEHQLWAISA-N

SMILES

O=C1C=C2[C@@](C(=O)OC2)(C)[C@@H]3[C@@H]1C[C@@H](C)CC3

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

ChEBI Ontology
Outgoing	Oblongolide I (CHEBI:222622) is a naphthofuran (CHEBI:39270)

IUPAC Name

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