Mrv1652306242107423D 50 52 0 0 0 0 999 V2000 6.8903 -0.2348 0.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0595 0.7682 0.1349 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5296 0.4560 -1.1944 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6431 -0.7051 -1.4119 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.7875 -0.6130 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5233 0.4090 -0.6490 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0329 1.5936 -0.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.2047 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 0.3245 1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 0.4722 2.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3057 0.3009 1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 0.1564 0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2119 0.0398 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0906 0.0590 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -0.0775 -2.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3995 -0.0339 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 -0.1408 -2.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7531 0.0068 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9213 0.1129 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 0.1695 1.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 0.1320 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6122 0.1814 0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 0.2596 2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 0.0361 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5652 0.0266 -2.0341 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.8732 -0.0254 -1.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -0.1133 -2.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7405 0.1887 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 0.2818 2.6754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3828 -0.5780 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8262 0.2592 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2338 -1.0965 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 1.6936 -0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 1.1808 0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 1.3739 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4057 0.3090 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2217 -1.6727 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3656 -0.7486 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8176 -1.6778 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 -0.9348 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 0.5952 -1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 2.1057 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0452 0.5742 3.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 0.3922 2.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 -0.1072 -2.9545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3115 0.2446 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9237 1.2672 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0312 -0.0668 2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3497 -0.4279 2.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 -0.1512 -3.5817 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 21 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 19 28 1 0 0 0 0 28 29 2 0 0 0 0 14 8 1 0 0 0 0 26 18 1 0 0 0 0 28 12 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 7 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 15 45 1 0 0 0 0 20 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 27 50 1 0 0 0 0 M END > NP0010880 > 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])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C21H21ClO7/c1-3-4-5-6-11(23)16-12(24)7-9-14(20(16)27)19(26)15-10(18(9)25)8-13(29-2)17(22)21(15)28/h7-8,11,23-24,27-28H,3-6H2,1-2H3/t11-/m0/s1 > KRLUFPHVSFXHOK-NSHDSACASA-N > C21H21ClO7 > 420.84 > 420.0975807 > 7 > 50 > 43.3921593011337 > 1 > 4 > 0 > 1 > 2-chloro-1,6,8-trihydroxy-7-[(1S)-1-hydroxyhexyl]-3-methoxy-9,10-dihydroanthracene-9,10-dione > 3.78 > 5.259837167666666 > -3.96 > 1 > 3 > -1 > 7.807317757674058 > 6.737082458469501 > -3.3253723335188043 > 124.28999999999999 > 107.92339999999996 > 6 > 0 > 4.63e-02 g/l > 2-chloro-1,6,8-trihydroxy-7-[(1S)-1-hydroxyhexyl]-3-methoxyanthracene-9,10-dione > 0 > NP0010880 > (1'S)-6-O-methyl-7-chloroaverantin $$$$