EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209783 - Cytosporin V

ChEBI IDCHEBI:209783
ChEBI NameCytosporin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O6
Net Charge0
Average Mass380.481
Monoisotopic Mass380.21989
SMILESCCCCCC=CC1=C(CO)[C@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3[C@@H]1OC(C)=O
InChIInChI=1S/C21H32O6/c1-5-6-7-8-9-10-14-15(12-22)18-21(11-16(24)20(3,4)26-18)19(27-21)17(14)25-13(2)23/h9-10,16-19,22,24H,5-8,11-12H2,1-4H3/t16-,17-,18-,19-,21+/m1/s1
InChIKeyOESMKAMCOZYFDA-FKAKKMJLSA-N
Species of MetaboliteComponentSourceComments
Pseudopestalotiopsis theae (ncbitaxon:218556) - PubMed (32102178)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin V (CHEBI:209783) is a oxanes (CHEBI:46942)
IUPAC Name 
[(1aR,2R,4aR,7R,8aS)-3-hept-1-enyl-7-hydroxy-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromen-2-yl] acetate