EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:199539
ChEBI Name2-deoxy-4alpha-hydroxyoblongolide X
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O4
Net Charge0
Average Mass280.364
Monoisotopic Mass280.16746
SMILESC[C@@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](O)O[C@H](CO)C(=O)[C@@]23C)C1
InChIInChI=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
InChIKeyQMIGWDIULBNXKA-UAJJHBLQSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies BCC 9789 (ncbitaxon:704643) - PubMed (20038128)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78436510ChemSpider