EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209715 - Cytosporin M

Default Structure
ChEBI IDCHEBI:209715
ChEBI NameCytosporin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O4
Net Charge0
Average Mass336.472
Monoisotopic Mass336.23006
SMILESCCCCCC=CC1=C(CC)[C@H]2OC(C)(C)[C@H](O)C[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C20H32O4/c1-5-7-8-9-10-11-14-13(6-2)17-20(18(24-20)16(14)22)12-15(21)19(3,4)23-17/h10-11,15-18,21-22H,5-9,12H2,1-4H3/t15-,16+,17-,18-,20+/m1/s1
InChIKeyRPEQSKPEWZMDDW-LYYGHALDSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsisspecies (ncbitaxon:36460) - PubMed (31033302)
ChEBI Ontology
Outgoing Relation(s)
Cytosporin M (CHEBI:209715) is a oxanes (CHEBI:46942)
IUPAC Name 
(1aR,2S,4aR,7R,8aS)-4-ethyl-3-hept-1-enyl-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromene-2,7-diol