Summary

Molecular formula: C19H28N2O6
SMILES: CCC([C@H](n1cc(C(=O)C)c(=O)cc1CO)N=C([C@H](C(C)C)O)C(=O)O)C
InChI: InChI=1S/C19H28N2O6/c1-6-11(4)18(20-16(19(26)27)17(25)10(2)3)21-8-14(12(5)23)15(24)7-13(21)9-22/h7-8,10-11,17-18,22,25H,6,9H2,1-5H3,(H,26,27)/t11?,17-,18-/m0/s1
InChIKey: RWZAFFUQHQDREK-AZOLZQDUSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc[nH]cc1

Scaffold Graph/Node level:
OC1CCNCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

Kingdom: Organic compounds
Super class: Organic oxygen compounds
Class: Organooxygen compounds
Sub class: Carbonyl compounds

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Synonymous chemical names:
erinacerin n

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External chemical identifiers:
CID_132599512; NPATLAS_NPA004781; CHEMSPIDER_78436802

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Chemical structure download