EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:215942 - Phomopsinone C

ChEBI IDCHEBI:215942
ChEBI NamePhomopsinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc(=O)oc2c1CO[C@@H](C[C@H](C)O)C2
InChIInChI=1S/C12H16O5/c1-7(13)3-8-4-11-9(6-16-8)10(15-2)5-12(14)17-11/h5,7-8,13H,3-4,6H2,1-2H3/t7-,8-/m0/s1
InChIKeyLVPYBBRMUJCOKG-YUMQZZPRSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Phomopsinone C (CHEBI:215942) is a pyranone (CHEBI:37963)
IUPAC Name 
(7S)-7-[(2S)-2-hydroxypropyl]-4-methoxy-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Manual XrefsDatabases
78437550ChemSpider