Ketcher 11092210452D 1 1.00000 0.00000 0 26 29 0 1 0 999 V2000 9.3839 -24.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3839 -25.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -24.2537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -26.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6299 -24.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6299 -25.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3471 -24.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 -25.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3471 -26.0858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 -25.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9056 -26.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 -26.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -23.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -27.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 -24.2537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7825 -26.0858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 -26.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5376 -24.4471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6600 -23.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9824 -22.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2953 -21.7682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2859 -21.5576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6177 -21.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1554 -24.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1264 -27.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5476 -23.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 2 0 0 0 7 1 1 0 0 0 2 1 2 0 0 0 8 7 1 0 0 0 9 2 1 0 0 0 10 8 1 0 0 0 9 8 1 0 0 0 11 10 1 0 0 0 12 11 1 0 0 0 12 9 1 0 0 0 13 3 2 0 0 0 14 4 2 0 0 0 15 5 1 0 0 0 16 10 1 0 0 0 11 16 1 0 0 0 17 6 1 0 0 0 8 18 1 6 0 0 7 19 1 0 0 0 20 19 1 0 0 0 21 20 1 0 0 0 22 21 1 0 0 0 23 21 2 0 0 0 10 24 1 6 0 0 11 25 1 6 0 0 26 18 1 0 0 0 M CHG 1 7 -1 M END > CHEBI:194095 > mitomycin C(1-) > 2 > mitomycin C > C15H17N4O5 > 333.325 > 333.12044 > -1 > C=12C(C(=C(C(C1N3[C@@]([C-]2COC(N)=O)([C@@]4([C@](C3)(N4)[H])[H])OC)=O)C)N)=O > InChI=1S/C15H17N4O5/c1-5-9(16)12(21)8-6(4-24-14(17)22)15(23-2)13-7(18-13)3-19(15)10(8)11(5)20/h7,13,18H,3-4,16H2,1-2H3,(H2,17,22)/q-1/t7-,13-,15+/m0/s1 > TWSVZLVCDAGJHJ-QWPQFENESA-N > 17461583 $$$$