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Amb33928933

Duplicate ID
Molecule Name Choline (1alpha,3alpha,4alpha,5beta)-1,3-bis[3,4-dihydroxycinnamoyloxy]-4,5-dihydroxycyclohexanecarboxylate
SmilesC[N+](C)(C)CCO.[O-]C(=O)C1(CC(O)C(O)C(C1)OC(=O)/C=C/c1cc(O)c(O)cc1)OC(=O)/C=C/c1cc(O)c(O)cc1
InchiKeyVZXZTUWADHFXJX-UQXJJJGTSA-M
InChi InChI=1S/C25H24O12.C5H14NO/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14;1-6(2,3)4-5-7/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35);7H,4-5H2,1-3H3/q;+1/p-1/b7-3+,8-4+;
Formula C30H37NO13
Molecular weight 619.614
Rings 3
logP -0.6202
PSA 234.34
MR 154.639
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