Mrv1652306242117273D 59 63 0 0 0 0 999 V2000 -4.2334 -1.3690 -2.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 -1.6392 -1.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -1.0927 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 -1.8790 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0191 -3.4581 0.0280 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7887 -1.4172 1.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 -2.1778 2.5892 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3316 -0.1734 2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 0.6270 1.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1177 1.9506 1.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2144 0.1431 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 0.9527 -0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9482 1.8583 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 2.5998 -2.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 3.4865 -3.3914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 2.4382 -2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 1.5340 -1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1364 1.3672 -1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 0.4943 -0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9334 -0.2558 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 -0.1365 0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 -0.8440 0.9866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 0.7672 -0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5778 -1.1776 1.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -1.8722 1.9122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0336 -1.2920 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 -2.1739 2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -2.9231 2.8785 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -2.3137 2.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7816 -1.5425 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1776 -1.6695 1.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1701 -0.6615 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -0.5322 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 0.4229 -0.6040 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7882 1.8051 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7666 0.0878 -1.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7445 -0.7394 -3.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 -2.3175 -3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1266 -0.8014 -2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8392 -1.8615 3.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5867 0.2424 3.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0037 2.3408 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 1.8668 2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9224 2.7031 1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 1.9141 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9254 4.4278 -3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1572 3.0174 -3.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7299 1.9850 -2.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -1.5064 1.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2031 -3.5898 3.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4320 -3.0227 2.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7204 -1.0711 1.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8379 -0.0864 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1762 2.2958 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 1.7467 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 2.4560 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2189 0.6084 -2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8178 0.4553 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7393 -0.9970 -2.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 20 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 11 3 1 0 0 0 0 23 12 1 0 0 0 0 33 26 1 0 0 0 0 23 17 1 0 0 0 0 34 19 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 13 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 18 48 1 0 0 0 0 22 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 M END > NP0016351 > NP-MRD > [H]OC1=C([H])C2=C([H])C3=C(C(=O)C4=C(O[H])C([H])=C(O[H])C([H])=C4C3(C([H])([H])[H])C([H])([H])[H])C(O[H])=C2C(=C1[H])C1=C(C([H])=C(O[H])C(Cl)=C1OC([H])([H])[H])C([H])([H])[H] > InChI=1S/C28H23ClO7/c1-11-5-19(33)24(29)27(36-4)20(11)15-8-13(30)6-12-7-16-23(25(34)21(12)15)26(35)22-17(28(16,2)3)9-14(31)10-18(22)32/h5-10,30-34H,1-4H3 > JSQPKFKMYXXEPC-UHFFFAOYSA-N > C28H23ClO7 > 506.94 > 506.1132308 > 7 > 59 > 52.406001840815065 > 0 > 5 > 0 > 0 > 7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyl-5,12-dihydrotetracen-5-one > 5.03 > 7.516883591 > -5.50 > 0 > 5 > 0 > 7.926942254506867 > 7.391162097764213 > -4.911014856633033 > 127.45000000000002 > 147.63089999999997 > 1 > 0 > 1.62e-03 g/l > 7-(3-chloro-4-hydroxy-2-methoxy-6-methylphenyl)-2,4,6,9-tetrahydroxy-12,12-dimethyltetracen-5-one > 0 > NP0016351 > Naphthacemycin B3 $$$$