Mrv1652306242107423D 59 61 0 0 0 0 999 V2000 -3.4728 4.0042 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9351 3.7939 1.2960 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9877 2.3847 0.8123 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1812 1.4294 1.6815 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3071 0.0178 1.1650 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7962 -0.1619 -0.2584 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0136 -1.5576 -0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8932 -1.9995 -1.3796 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6005 -1.5975 -2.8016 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5891 -2.2106 -3.8088 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5300 -3.7001 -3.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 0.1104 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 0.6331 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 1.0508 -2.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4845 0.7248 -1.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3557 0.2797 -0.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9223 -0.2392 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -0.3252 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -0.8403 1.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 -0.7018 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5215 -1.1825 2.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 -0.6128 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7313 -0.0844 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 0.0155 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 -0.3969 0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -0.2771 0.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 -0.9239 1.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7651 -1.4531 2.9974 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 -1.0238 1.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7784 -1.5469 3.1899 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7986 0.3780 -1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1623 0.8580 -2.2788 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 3.0384 3.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4114 4.5928 2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 4.6148 3.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 4.2714 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 4.4175 0.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 2.3241 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0705 2.0703 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 1.8150 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5170 2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -0.0825 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1003 -0.7816 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4297 0.3749 -0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 -1.6307 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 -3.1365 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -1.7144 -3.1246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 -0.4848 -2.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -1.9417 -4.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5893 -1.8012 -3.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 -4.1677 -4.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4756 -4.0198 -3.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0636 -4.0605 -2.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 1.3211 -3.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8199 1.1223 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -1.2103 2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4035 0.4278 -1.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6499 0.1303 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 -1.8515 3.9212 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 6 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 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 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 2 0 0 0 0 18 12 1 0 0 0 0 29 22 1 0 0 0 0 31 16 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 44 1 6 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 11 53 1 0 0 0 0 14 54 1 0 0 0 0 15 55 1 0 0 0 0 19 56 1 0 0 0 0 24 57 1 0 0 0 0 26 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > NP0010884 > 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])C([H])([H])C([H])([H])C([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/C24H27ClO7/c1-3-5-7-8-16(32-9-6-4-2)19-14(26)10-12-17(23(19)30)22(29)18-13(21(12)28)11-15(27)20(25)24(18)31/h10-11,16,26-27,30-31H,3-9H2,1-2H3/t16-/m0/s1 > RUYISUBUASQYBJ-INIZCTEOSA-N > C24H27ClO7 > 462.92 > 462.1445309 > 7 > 59 > 48.87313722068127 > 1 > 4 > 0 > 0 > 2-[(1S)-1-butoxyhexyl]-7-chloro-1,3,6,8-tetrahydroxy-9,10-dihydroanthracene-9,10-dione > 5.02 > 7.080968629999999 > -4.44 > 1 > 3 > -2 > 6.869419857317563 > 5.931552808691115 > -4.177236731473419 > 124.28999999999999 > 122.06589999999993 > 9 > 0 > 1.69e-02 g/l > 2-[(1S)-1-butoxyhexyl]-7-chloro-1,3,6,8-tetrahydroxyanthracene-9,10-dione > 0 > NP0010884 > (1'S)-7-chloroaverantin-1'-butyl ether $$$$