Mrv1652306242107423D 50 52 0 0 0 0 999 V2000 -3.0793 0.9548 2.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 0.2799 2.2083 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0112 -0.3017 0.8279 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8868 -1.3495 0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6598 -1.9107 -0.4469 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2426 -0.9197 -1.4905 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1199 -1.6261 -2.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -1.2724 -3.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9697 -0.2107 -1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 1.0180 -1.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 1.6293 -2.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 1.6432 -1.6356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 1.0911 -0.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2642 -0.1220 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 -0.7949 -0.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 -1.9957 0.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 -0.6865 0.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 -1.7769 1.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6447 0.0205 0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8585 1.2267 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0337 1.9302 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 1.3930 0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2395 2.0915 1.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8474 0.1648 1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 -0.4945 2.4869 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 -0.5361 1.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4655 -1.7590 2.0199 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 1.7929 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9361 2.9056 -1.2609 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7953 1.8137 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 1.4152 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 0.2782 3.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5791 -0.5954 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 0.9773 2.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 0.4840 0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9138 -0.8532 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 -2.1695 1.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0531 -0.9935 1.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -2.8412 -0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 -2.2381 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0533 -0.2012 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0113 -0.2283 -4.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 -1.8707 -4.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -1.5832 -3.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 2.5280 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 2.5992 -2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3518 -2.6185 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 2.8818 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 2.9875 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -2.1574 2.5691 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 2 0 0 0 0 15 9 1 0 0 0 0 26 19 1 0 0 0 0 28 13 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 41 1 6 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 16 47 1 0 0 0 0 21 48 1 0 0 0 0 23 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > NP0010878 > NP-MRD > [H]OC1=C([H])C2=C(C(=O)C3=C(O[H])C(=C(O[H])C([H])=C3C2=O)[C@@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C(O[H])=C1Cl > InChI=1S/C21H21ClO7/c1-3-4-5-6-13(29-2)16-11(23)7-9-14(20(16)27)19(26)15-10(18(9)25)8-12(24)17(22)21(15)28/h7-8,13,23-24,27-28H,3-6H2,1-2H3/t13-/m0/s1 > KGTDNRSYXXWABH-ZDUSSCGKSA-N > C21H21ClO7 > 420.84 > 420.0975807 > 7 > 50 > 42.581224069942564 > 1 > 4 > 0 > 0 > 2-chloro-1,3,6,8-tetrahydroxy-7-[(1S)-1-methoxyhexyl]-9,10-dihydroanthracene-9,10-dione > 4.09 > 5.757069615333332 > -3.91 > 1 > 3 > -2 > 6.869511980975367 > 5.9315671343610425 > -4.155385271353394 > 124.28999999999999 > 108.19229999999996 > 6 > 0 > 5.19e-02 g/l > 2-chloro-1,3,6,8-tetrahydroxy-7-[(1S)-1-methoxyhexyl]anthracene-9,10-dione > 0 > NP0010878 > (1'S)-1'-O-methyl-7-chloroaverantin $$$$