EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230575 - minabeolide-7

Default Structure
ChEBI IDCHEBI:230575
ChEBI Nameminabeolide-7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O5
Net Charge0
Average Mass456.623
Monoisotopic Mass456.28757
SMILESCC(=O)O[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)C1CCC(C)C(=O)O1
InChIInChI=1S/C28H40O5/c1-16-5-10-25(32-26(16)31)17(2)22-8-9-24-21-7-6-19-15-20(30)11-13-27(19,4)23(21)12-14-28(22,24)33-18(3)29/h15-17,21-25H,5-14H2,1-4H3/t16?,17-,21+,22+,23-,24-,25?,27-,28-/m0/s1
InChIKeyDIXPXGJACWFTMI-MTUKHZJQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
minabeolide-7 (CHEBI:230575) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(8R,9S,10R,13R,14S,17R)-10-methyl-17-[(1S)-1-(5-methyl-6-oxooxan-2-yl)ethyl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-13-yl] acetate
Manual XrefsDatabases
113385423ChemSpider
LMST01160008LIPID MAPS