EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226972 - Penostatin D

ChEBI IDCHEBI:226972
ChEBI NamePenostatin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCCCCCCC/C=C/[C@@H]1O[C@@H]2[C@@H](C=C1C)[C@@H]1C[C@H](O)CC1=C[C@H]2O
InChIInChI=1S/C22H34O3/c1-3-4-5-6-7-8-9-10-21-15(2)11-19-18-14-17(23)12-16(18)13-20(24)22(19)25-21/h9-11,13,17-24H,3-8,12,14H2,1-2H3/b10-9+/t17-,18-,19+,20-,21+,22-/m1/s1
InChIKeySCHUFNFKKZAGMU-AOWXDDHASA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/0040-4039(95)02225-2)
ChEBI Ontology
Outgoing Relation(s)
Penostatin D (CHEBI:226972) is a pyrans (CHEBI:26407)
IUPAC Name 
(3S,4aR,5R,8S,9aS,9bS)-2-methyl-3-[(E)-non-1-enyl]-3,4a,5,7,8,9,9a,9b-octahydrocyclopenta[]chromene-5,8-diol
Manual XrefsDatabases
8173350ChemSpider