EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214126 - Cytosporin E

ChEBI IDCHEBI:214126
ChEBI NameCytosporin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O7
Net Charge0
Average Mass382.453
Monoisotopic Mass382.19915
SMILESCCCCC/C=C/C1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@]2(O)[C@@H]2OC(=O)O[C@H]12
InChIInChI=1S/C20H30O7/c1-4-5-6-7-8-9-12-13(11-21)16-20(24,10-14(22)19(2,3)27-16)17-15(12)25-18(23)26-17/h8-9,14-17,21-22,24H,4-7,10-11H2,1-3H3/b9-8+/t14-,15+,16-,17+,20+/m0/s1
InChIKeyIMQYAWIJNZPDJB-QKWWGZASSA-N
Species of MetaboliteComponentSourceComments
Peroneutypa scoparia (ncbitaxon:1736665) - DOI (10.1016/j.tet.2008.03.016)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin E (CHEBI:214126) is a oxanes (CHEBI:46942)
IUPAC Name 
(3aR,5aS,8S,9aR,9bR)-4-[(E)-hept-1-enyl]-8,9a-dihydroxy-5-(hydroxymethyl)-7,7-dimethyl-5a,8,9,9b-tetrahydro-3aH-[1,3]dioxolo[4,5-]chromen-2-one
Manual XrefsDatabases
27023789ChemSpider