EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216945 - Phomopoxide E

ChEBI IDCHEBI:216945
ChEBI NamePhomopoxide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O5
Net Charge0
Average Mass326.433
Monoisotopic Mass326.20932
SMILESCCCCCCCC[C@H](O)/C=C\C1=C(CO)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O
InChIInChI=1S/C18H30O5/c1-2-3-4-5-6-7-8-12(20)9-10-13-14(11-19)16(22)18-17(23-18)15(13)21/h9-10,12,15-22H,2-8,11H2,1H3/b10-9-/t12-,15+,16+,17+,18-/m0/s1
InChIKeyZVSANRKMQKUFGR-YAHKWNNFSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies YE3250 (ncbitaxon:1440777) - PubMed (29334729)
ChEBI Ontology
Outgoing Relation(s)
Phomopoxide E (CHEBI:216945) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
(1S,2R,5R,6R)-3-(hydroxymethyl)-4-[(Z,3S)-3-hydroxyundec-1-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol