celosianin I

Properties Image Occurences in reactions MNX_ID MNXM16630 #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0 formula C39H38N2O21 charge -2 mass 870.1978 reference metacycM:CPD-8675 InChIKey VYAFZESLHLWKCS-QBXHKHJLSA-L InChI InChI=1S/C39H40N2O21/c42-14-25-27(46)28(47)33(62-39-32(30(49)29(48)31(61-39)37(56)57)60-26(45)6-3-15-1-4-18(43)5-2-15)38(59-25)58-24-12-17-11-22(36(54)55)41(21(17)13-23(24)44)8-7-16-9-19(34(50)51)40-20(10-16)35(52)53/h1-9,12-13,20,22,25,27-33,38-39,42,46-49H,10-11,14H2,(H6,43,44,45,50,51,52,53,54,55,56,57)/p-2/t20-,22-,25+,27+,28-,29-,30-,31-,32+,33+,38+,39-/m0/s1 SMILES O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)[O-])O[C@H]1O[C@H]1[C@H](Oc2cc3c(cc2O)/[N+](=C/C=C2/C=C(C(=O)[O-])[NH2+][C@H](C(=O)[O-])C2)[C@H](C(=O)[O-])C3)O[C@H](CO)[C@@H](O)[C@@H]1O

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