CDK 1030232200 46 50 0 0 0 0 0 0 0 0999 V2000 5.7158 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.4750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -2.8875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5736 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7144 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 5 3 1 1 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 9 5 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 13 8 1 0 0 0 0 9 14 1 6 0 0 0 15 9 1 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 19 13 1 0 0 0 0 13 20 1 6 0 0 0 15 21 1 6 0 0 0 16 22 1 0 0 0 0 16 23 2 0 0 0 0 19 24 1 1 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 36 38 1 6 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 37 41 1 6 0 0 0 39 42 1 6 0 0 0 40 43 1 1 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 12 18 2 0 0 0 0 15 19 1 0 0 0 0 17 22 1 0 0 0 0 27 31 2 0 0 0 0 39 40 1 0 0 0 0 M END > CHEBI:208647 > Solphenazine C > 2 > bis[(2S,3R,4R,5S,6S)-4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl] phenazine-1,6-dicarboxylate > C30H32N2O14 > 644.586 > 644.18535 > 0 > O=C(O[C@@H]1O[C@H]([C@H](O)[C@H]([C@H]1O)OC(=O)C)C)C=2C3=NC=4C(=C(C(=O)O[C@@H]5O[C@H]([C@H](O)[C@H]([C@H]5O)OC(=O)C)C)C=CC4)N=C3C=CC2 > InChI=1S/C30H32N2O14/c1-11-21(35)25(43-13(3)33)23(37)29(41-11)45-27(39)15-7-5-9-17-19(15)31-18-10-6-8-16(20(18)32-17)28(40)46-30-24(38)26(44-14(4)34)22(36)12(2)42-30/h5-12,21-26,29-30,35-38H,1-4H3/t11-,12-,21-,22-,23+,24+,25+,26+,29-,30-/m0/s1 > WGUFRJNLVMUOII-CTLOOQFBSA-N $$$$