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MTC 智能计算中心MTC Computing Center AI × 蛋白质与酶工程AI for Protein & Enzyme Engineering

化合物信息

名称 内容
kegg编号 C02730
pubchemid 5692
name 2-Succinylbenzoate
formula C11H10O5
structure
Isomeric_Smiles CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)[NH2+]CC6=CC=C(C=C6)C[NH2+]C7C(OC(CC7O)OC8CC(CC9=C8C(=C1C(=C9O)C(=O)C2=C(C1=O)C(=CC=C2)OC)O)(C(=O)C)O)C
Cannoical_Smiles CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)[NH2+]CC6=CC=C(C=C6)C[NH2+]C7C(OC(CC7O)OC8CC(CC9=C8C(=C1C(=C9O)C(=O)C2=C(C1=O)C(=CC=C2)OC)O)(C(=O)C)O)C
Gotenzyme_Smiles O=C(O)CCC(=O)c1ccccc1C(=O)O