EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223751 - Feigrisolide D

ChEBI IDCHEBI:223751
ChEBI NameFeigrisolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O7
Net Charge0
Average Mass414.539
Monoisotopic Mass414.26175
SMILESCC[C@@H](O)C[C@@H]1CC[C@@H](O)[C@@H](C)C(=O)O[C@@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
InChIInChI=1S/C22H38O7/c1-5-15(23)11-17-7-9-19(24)13(3)21(25)28-16(6-2)12-18-8-10-20(27-18)14(4)22(26)29-17/h13-20,23-24H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,18-,19-,20+/m1/s1
InChIKeyLCVDIZRTXONOQH-PVVXXXPESA-N
Species of MetaboliteComponentSourceComments
Streptomyces griseus (ncbitaxon:1911) - PubMed (11099227)
ChEBI Ontology
Outgoing Relation(s)
Feigrisolide D (CHEBI:223751) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,2S,5S,8R,9R,12S,14R)-12-ethyl-8-hydroxy-5-[(2R)-2-hydroxybutyl]-2,9-dimethyl-4,11,17-trioxabicyclo[12.2.1]heptadecane-3,10-dione
Manual XrefsDatabases
8868477ChemSpider