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CHEBI:173158 - Deacetylnomilin

ChEBI IDCHEBI:173158
ChEBI NameDeacetylnomilin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O8
Net Charge0
Average Mass472.534
Monoisotopic Mass472.20972
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@@]4([H])O[C@@]34[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)OC(=O)CC(O)[C@]21C
InChIInChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14-,15+,16?,19+,20-,23+,24-,25+,26-/m1/s1
InChIKeyHWAJASVMTDEFJN-MKBHYRRPSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Deacetylnomilin (CHEBI:173158) is a limonoid (CHEBI:39434)
IUPAC Name 
(1R,2R,4S,7S,8S,11R,12R,18R)-7-(uran-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione
Manual XrefsDatabases
57261128ChemSpider