EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212145 - Phomopsolide B

ChEBI IDCHEBI:212145
ChEBI NamePhomopsolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILESC/C=C(\C)C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@H](O)[C@H](C)O
InChIInChI=1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10-13,16-17H,1-3H3/b6-5+,9-4+/t10-,11-,12-,13-/m0/s1
InChIKeyJTHHOHSDOJJNFN-HIWLEQICSA-N
Species of MetaboliteComponentSourceComments
Diaporthe eres (ncbitaxon:83184) - DOI (10.1039/p19850000865)
ChEBI Ontology
Outgoing Relation(s)
Phomopsolide B (CHEBI:212145) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S)-2-[(E,3S,4S)-3,4-dihydroxypent-1-enyl]-6-oxo-2,3-dihydropyran-3-yl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
4946262ChemSpider