2-deoxy-4alpha-hydroxyoblongolide X (CHEBI:199539)

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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	2-deoxy-4alpha-hydroxyoblongolide X

ChEBI ID	CHEBI:199539

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

Submitter	MetaboLights

Supplier Information

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Formula

C16H24O4

Net Charge

Average Mass

280.364

Monoisotopic Mass

280.16746

InChI

InChI=1S/C16H24O4/c1-9-3-5-11-10(7-9)4-6-12-15(19)20-13(8-17)14(18)16(11,12)2/h4,6,9-13,15,17,19H,3,5,7-8H2,1-2H3/t9-,10-,11-,12+,13-,15-,16+/m1/s1

InChIKey

QMIGWDIULBNXKA-UAJJHBLQSA-N

SMILES

O=C1[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)C)[C@H](O)O[C@@H]1CO)C

Metabolite of Species	Details
Phomopsisspecies BCC 9789 (NCBI:txid704643)	See: PubMed

ChEBI Ontology
Outgoing	2-deoxy-4alpha-hydroxyoblongolide X (CHEBI:199539) is a organic heterotricyclic compound (CHEBI:26979) 2-deoxy-4alpha-hydroxyoblongolide X (CHEBI:199539) is a organooxygen compound (CHEBI:36963)

IUPAC Name

(2R,4R,4aR,6aS,8R,10aR,10bS)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[]isochromen-1-one