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CHEBI:229812 - (2s)-2-{2-[(1,4'-bipiperidin-1'-ylcarbonyl)oxy]-12-ethyl-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid

ChEBI IDCHEBI:229812
ChEBI Name(2s)-2-{2-[(1,4'-bipiperidin-1'-ylcarbonyl)oxy]-12-ethyl-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N4O7
Net Charge0
Average Mass604.704
Monoisotopic Mass604.28970
SMILESCCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc([C@@](O)(CC)C(=O)O)c(CO)c(=O)n1C2
InChIInChI=1S/C33H40N4O7/c1-3-22-23-16-21(44-32(42)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26(25(19-38)30(37)39)33(43,4-2)31(40)41/h8-9,16-17,20,38,43H,3-7,10-15,18-19H2,1-2H3,(H,40,41)/t33-/m0/s1
InChIKeyDCYPPLWVDXGNOW-XIFFEERXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
(2s)-2-{2-[(1,4'-bipiperidin-1'-ylcarbonyl)oxy]-12-ethyl-8-(hydroxymethyl)-9-oxo-9,11-dihydroindolizino[1,2-b]quinolin-7-yl}-2-hydroxybutanoic acid (CHEBI:229812) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name 
(2S)-2-[12-ethyl-8-(hydroxymethyl)-9-oxo-2-(4-piperidin-1-ylpiperidine-1-carbonyl)oxy-11H-indolizino[1,2-b]quinolin-7-yl]-2-hydroxybutanoic acid
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