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CHEBI:126406 - (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one

ChEBI IDCHEBI:126406
ChEBI Name(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one
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DownloadsMolfile
FormulaC27H31N3O3
Net Charge0
Average Mass445.563
Monoisotopic Mass445.23654
SMILESO=C([C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1
InChIInChI=1S/C27H31N3O3/c31-16-22-21-15-30-23(11-10-20(26(30)32)18-7-2-1-3-8-18)24(21)28-25(22)27(33)29-13-12-17-6-4-5-9-19(17)14-29/h4-7,9-11,21-22,24-25,28,31H,1-3,8,12-16H2/t21-,22-,24+,25-/m1/s1
InChIKeyPTLMKOUWIZIOMC-YQIMAOPZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-(hydroxymethyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one (CHEBI:126406) is a amino acid amide (CHEBI:22475)
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