EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211126 - Phomopsolidone B

ChEBI IDCHEBI:211126
ChEBI NamePhomopsolidone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESC/C=C(\C)C(=O)OC(/C=C/[C@H](O)[C@H](C)O)C1CCC(=O)O1
InChIInChI=1S/C15H22O6/c1-4-9(2)15(19)21-13(6-5-11(17)10(3)16)12-7-8-14(18)20-12/h4-6,10-13,16-17H,7-8H2,1-3H3/b6-5+,9-4+/t10-,11-,12?,13?/m0/s1
InChIKeyKDJQJYVWRNNMAM-AYRSGXSMSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (25070068)
ChEBI Ontology
Outgoing Relation(s)
Phomopsolidone B (CHEBI:211126) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
[(E,4S,5S)-4,5-dihydroxy-1-(5-oxooxolan-2-yl)hex-2-enyl] (E)-2-methylbut-2-enoate
Manual XrefsDatabases
78441912ChemSpider