Mrv1652306242107423D 53 55 0 0 0 0 999 V2000 6.4719 1.8366 -1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6171 1.2957 -0.0076 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1863 1.8165 -0.1229 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3725 1.2605 1.0429 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2708 -0.1813 1.0837 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5253 -1.0102 0.0936 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9276 -0.8246 -1.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4087 -2.0139 -1.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0647 -0.9776 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5118 -2.1216 0.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 -3.1710 1.3738 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8523 -2.2151 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6518 -1.1897 0.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -0.0520 0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2227 0.0467 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 1.1166 -0.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 0.9818 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6533 2.0295 -0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5574 0.8250 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0486 -0.3254 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3956 -0.5263 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3039 0.4107 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6427 0.1469 0.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0226 -1.0655 1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8307 1.5387 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9804 2.7728 -0.8501 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 1.7679 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0898 2.9217 -1.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0962 -1.3322 0.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 -2.3893 1.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1366 0.9962 -1.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2064 2.5647 -0.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 2.2618 -1.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 0.1749 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0081 1.5984 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2764 2.9392 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 1.6008 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9263 1.5858 1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 1.8259 1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 -0.4662 2.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2985 -0.6307 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8508 -2.1008 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2235 -2.4800 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5695 -2.7337 -1.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 -1.8137 -2.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -3.2689 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 -3.0903 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 1.9255 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6819 -1.4645 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8404 -1.9356 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4115 -1.1661 2.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1027 -0.9767 1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2476 3.2817 -1.3960 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 23 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 27 28 1 0 0 0 0 20 29 1 0 0 0 0 29 30 2 0 0 0 0 15 9 1 0 0 0 0 27 19 1 0 0 0 0 29 13 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 42 1 1 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 16 48 1 0 0 0 0 21 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 28 53 1 0 0 0 0 M END > NP0010882 > NP-MRD > [H]OC1=C(C(O[H])=C2C(=O)C3=C(C([H])=C(OC([H])([H])[H])C(Cl)=C3O[H])C(=O)C2=C1[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C22H23ClO7/c1-4-5-6-7-13(29-2)17-12(24)8-10-15(21(17)27)20(26)16-11(19(10)25)9-14(30-3)18(23)22(16)28/h8-9,13,24,27-28H,4-7H2,1-3H3/t13-/m0/s1 > ZASRCJJQHPCHMP-ZDUSSCGKSA-N > C22H23ClO7 > 434.87 > 434.1132308 > 7 > 53 > 45.24364939560668 > 1 > 3 > 0 > 0 > 2-chloro-1,6,8-trihydroxy-3-methoxy-7-[(1S)-1-methoxyhexyl]-9,10-dihydroanthracene-9,10-dione > 4.36 > 5.902963671333332 > -4.44 > 1 > 3 > -1 > 7.1919960424865685 > 6.542720133048384 > -4.084836309614746 > 113.28999999999999 > 112.67459999999997 > 7 > 0 > 1.59e-02 g/l > 2-chloro-1,6,8-trihydroxy-3-methoxy-7-[(1S)-1-methoxyhexyl]anthracene-9,10-dione > 0 > NP0010882 > (1'S)-6,1'-O,O-dimethyl-7-chloroaverantin $$$$