EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216535 - Phomoxin

ChEBI IDCHEBI:216535
ChEBI NamePhomoxin
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+/m0/s1
InChIKeyZDKCZSBZBVIVCB-BALZYMCLSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/s0031-9422(03)00272-3)
ChEBI Ontology
Outgoing Relation(s)
Phomoxin (CHEBI:216535) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aR,4S,5S,7aS)-7-[(E)-hept-1-enyl]-4,5-dihydroxy-6-(hydroxymethyl)-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
Manual XrefsDatabases
556951ChemSpider