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CHEBI:98997 - (2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

ChEBI IDCHEBI:98997
ChEBI Name(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
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DownloadsMolfile
FormulaC27H30N2O6
Net Charge0
Average Mass478.545
Monoisotopic Mass478.21039
SMILESCOC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C27H30N2O6/c1-33-27(32)25-20(14-30)19-13-28-21(9-8-18(26(28)31)17-5-3-2-4-6-17)24(19)29(25)12-16-7-10-22-23(11-16)35-15-34-22/h5,7-11,19-20,24-25,30H,2-4,6,12-15H2,1H3/t19-,20-,24+,25-/m0/s1
InChIKeyONPKFTYLPVPFLT-UIYANEJRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:98997) is a α-amino acid ester (CHEBI:46874)
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