Oblongolide C1 (CHEBI:223066)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 C1

ChEBI ID	CHEBI:223066

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/c1-8-3-4-10-9(7-8)5-6-14(17)12(16)18-11(15)13(10,14)2/h5-6,8-10,12,16-17H,3-4,7H2,1-2H3/t8-,9-,10-,12-,13-,14-/m0/s1

InChIKey

JMPWVLVFLFBYFC-ARJJNVETSA-N

SMILES

O=C1O[C@H](O)[C@@]2([C@]1([C@@H]3[C@H](C[C@@H](C)CC3)C=C2)C)O

Metabolite of Species	Details
Phomopsis (NCBI:txid34399)	See: PubMed

ChEBI Ontology
Outgoing	Oblongolide C1 (CHEBI:223066) is a naphthofuran (CHEBI:39270)

IUPAC Name

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