Ketcher 07141809382D 1 1.00000 0.00000 0 42 42 0 0 0 999 V2000 -3.4375 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4375 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4907 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2227 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0888 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6868 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5529 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2849 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1509 -0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0170 0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9016 -0.3250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5715 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7055 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0266 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8394 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8926 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8208 1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6868 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4189 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 3 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 8 27 1 0 0 0 8 28 2 0 0 0 5 29 1 1 0 0 3 30 1 6 0 0 2 31 1 6 0 0 7 32 1 6 0 0 9 33 1 6 0 0 11 34 1 6 0 0 13 35 1 6 0 0 10 36 1 1 0 0 12 37 1 1 0 0 14 38 1 6 0 0 20 39 1 1 0 0 19 40 1 6 0 0 21 41 1 0 0 0 23 42 1 1 0 0 M END > CHEBI:141374 > 24-dehydrozincophorin > 2 > CP-78,545 > C33H58O7 > 566.811 > 566.41825 > 0 > C1[C@@H]([C@](O[C@@](C1)([C@@H](C(O)=O)C)[H])([C@H]([C@H]([C@H]([C@H]([C@H]([C@@H](CC/C=C/[C@H]([C@H](/C(=C/[C@@H](CC=C)C)/C)O)C)O)C)O)C)O)C)[H])C > InChI=1S/C33H58O7/c1-10-13-19(2)18-22(5)29(35)20(3)14-11-12-15-27(34)23(6)30(36)25(8)31(37)26(9)32-21(4)16-17-28(40-32)24(7)33(38)39/h10-11,14,18-21,23-32,34-37H,1,12-13,15-17H2,2-9H3,(H,38,39)/b14-11+,22-18+/t19-,20-,21+,23+,24+,25+,26+,27-,28+,29-,30+,31+,32+/m1/s1 > CHYQBJKLYBRPQK-FXLACHKASA-N > 2759903 $$$$