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

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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
ChEBI ID CHEBI:229812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H40N4O7
Net Charge 0
Average Mass 604.704
Monoisotopic Mass 604.28970
InChI InChI=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
InChIKey DCYPPLWVDXGNOW-XIFFEERXSA-N
SMILES O(C(=O)N1CCC(N2CCCCC2)CC1)C3=CC=4C(=C5CN6C(C5=NC4C=C3)=CC([C@@](O)(CC)C(O)=O)=C(C6=O)CO)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing (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
Manual Xref Database
391419 ChemSpider
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