Molecule

894.00844

893.46202906

0

InChI=1S/C42H62O16.H3N.3H2O/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3;3*1H2/t19-,21?,22-,23+,24+,25-,26-,27?,28+,29-,30+,31?,34+,35-,38+,39-,40-,41+,42+;;;;/m0..../s1

RSPXVECNDMCBGQ-MNEUJRJCSA-N

O[C@@H]1[C@@H](O[C@H]2O[C@@H](C(=O)O)[C@@H]([C@H](C2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2(C(C1(C)C)CC[C@@]1(C2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)[O-])C)C)C.[NH4+].O.O.O

C12=CC(=O)C3[C@]([C@@]1(CC[C@@]1([C@H]2C[C@@](C(=O)[O-])(CC1)C)C)C)(CCC1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O[C@H]1O[C@H]([C@@H]([C@H](C1O)O)O)C(=O)O)C)C.[NH4+].O.O.O

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