EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:204829 - Feigrisolide C

ChEBI IDCHEBI:204829
ChEBI NameFeigrisolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O7
Net Charge0
Average Mass400.512
Monoisotopic Mass400.24610
SMILESCC[C@@H](O)C[C@@H]1CC[C@@H](O)[C@@H](C)C(=O)O[C@@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C21H36O7/c1-5-15(22)11-17-6-8-18(23)13(3)20(24)26-12(2)10-16-7-9-19(27-16)14(4)21(25)28-17/h12-19,22-23H,5-11H2,1-4H3/t12-,13+,14-,15+,16+,17-,18+,19-/m0/s1
InChIKeyHQBGZNNKSCTNKH-JWFKEXIPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (11099227)
ChEBI Ontology
Outgoing Relation(s)
Feigrisolide C (CHEBI:204829) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5S,8R,9R,12S,14R)-8-hydroxy-5-[(2R)-2-hydroxybutyl]-2,9,12-trimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
Manual XrefsDatabases
8844058ChemSpider