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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 C17678
pubchemid 96024020
name Magnoloside A
formula C29H36O15
structure
Isomeric_Smiles CC1=C(C2=C(CCN[C@@H]2C3CCC(CC3)C(=O)O)C=C1)C
Cannoical_Smiles CC1=C(C2=C(CCNC2C3CCC(CC3)C(=O)O)C=C1)C
Gotenzyme_Smiles CC1OC(OC2C(OCCc3ccc(O)c(O)c3)OC(CO)C(O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O