Oblongolide B (CHEBI:198543)

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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 B

ChEBI ID	CHEBI:198543

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/c1-12(16)5-4-10-9(7-12)3-6-14(17)8-18-11(15)13(10,14)2/h3,6,9-10,16-17H,4-5,7-8H2,1-2H3/t9-,10-,12+,13-,14-/m0/s1

InChIKey

IBIXFRQYQNTJTG-ZMQVJYHMSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	Oblongolide B (CHEBI:198543) is a naphthofuran (CHEBI:39270)

IUPAC Name

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