EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211295 - Mniopetal D

ChEBI IDCHEBI:211295
ChEBI NameMniopetal D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O8
Net Charge0
Average Mass466.571
Monoisotopic Mass466.25667
SMILESCCCCCCCCC(O)C(=O)O[C@H]1[C@@H](O)CC(C)(C)[C@@H]2CC=C(C=O)[C@@H]3[C@@H](O)OC(=O)[C@]312
InChIInChI=1S/C25H38O8/c1-4-5-6-7-8-9-10-16(27)21(29)32-20-17(28)13-24(2,3)18-12-11-15(14-26)19-22(30)33-23(31)25(18,19)20/h11,14,16-20,22,27-28,30H,4-10,12-13H2,1-3H3/t16?,17-,18-,19+,20-,22-,25+/m0/s1
InChIKeyJFWFXOAWDVOLHC-DKYGLMCMSA-N
ChEBI Ontology
Outgoing Relation(s)
Mniopetal D (CHEBI:211295) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(3S,3aS,6aS,9S,10R,10aR)-4-ormyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzouran-10-yl] 2-hydroxydecanoate
Manual XrefsDatabases
8203112ChemSpider