EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226578 - Phomoxin C

ChEBI IDCHEBI:226578
ChEBI NamePhomoxin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O6
Net Charge0
Average Mass298.335
Monoisotopic Mass298.14164
SMILESCCCCC/C=C/C1=C(CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)O[C@@H]12
InChIInChI=1S/C15H22O6/c1-2-3-4-5-6-7-9-10(8-16)11(17)12(18)14-13(9)20-15(19)21-14/h6-7,11-14,16-18H,2-5,8H2,1H3/b7-6+/t11-,12+,13+,14-/m1/s1
InChIKeyZDKCZSBZBVIVCB-KWUVHTBZSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (16242738)
ChEBI Ontology
Outgoing Relation(s)
Phomoxin C (CHEBI:226578) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aR,4S,5R,7aS)-7-[(E)-hept-1-enyl]-4,5-dihydroxy-6-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
Manual XrefsDatabases
9791122ChemSpider