Summary

Molecular formula: C25H27NO7
SMILES: COC(=O)CC/C(=C/Cc1c(O)cc2c(c1O)CN(C2=O)[C@H](C(=O)O)Cc1ccccc1)/C
InChI: InChI=1S/C25H27NO7/c1-15(9-11-22(28)33-2)8-10-17-21(27)13-18-19(23(17)29)14-26(24(18)30)20(25(31)32)12-16-6-4-3-5-7-16/h3-8,13,20,27,29H,9-12,14H2,1-2H3,(H,31,32)/b15-8+/t20-/m0/s1
InChIKey: PFCGJFIJZKYTPM-FWAYRLMKSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2CN1CCc1ccccc1

Scaffold Graph/Node level:
OC1C2CCCCC2CN1CCC1CCCCC1

Scaffold Graph level:
CC1C(CCC2CCCCC2)CC2CCCCC21

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Chemical classification

Kingdom: Organic compounds
Super class: Organic acids and derivatives
Class: Carboxylic acids and derivatives
Sub class: Amino acids, peptides, and analogues

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Synonymous chemical names:
erinacerin k

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External chemical identifiers:
CID_139588050; NPATLAS_NPA017791; CHEMSPIDER_78438407

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Chemical structure download