Mrv1909 11151915492D 66 70 0 0 0 0 999 V2000 -6.4134 -0.0982 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 -5.2599 -3.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -2.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -1.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1269 -0.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1166 2.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3824 -1.1664 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -5.1870 -0.0762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4091 1.0139 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 -7.5794 -0.0762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9634 -0.4481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9634 0.3488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7085 -0.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 -1.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -2.1161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3047 -0.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7351 0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -2.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3182 -2.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 -1.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8015 -0.4747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7811 -2.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8015 0.3222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3069 0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0312 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9737 1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 -0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7440 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7914 -1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0312 0.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0475 1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4581 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6838 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0106 2.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8179 1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2667 -3.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8076 2.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4581 0.8217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 -1.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2190 -0.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5357 2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2966 2.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -2.1661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9642 -1.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 -1.8171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2047 -1.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -1.4949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3825 -1.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1277 -1.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3682 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9657 3.7097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8008 -2.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5223 -2.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5399 -3.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6857 -2.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4595 -2.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 -1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4681 -1.2937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 -1.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -0.9716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3588 -3.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8492 -2.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 21 2 0 0 0 0 3 35 1 0 0 0 0 3 57 1 0 0 0 0 4 35 2 0 0 0 0 5 41 1 0 0 0 0 5 61 1 0 0 0 0 6 41 2 0 0 0 0 7 44 2 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 14 2 0 0 0 0 9 19 1 0 0 0 0 10 30 1 0 0 0 0 10 33 1 0 0 0 0 11 27 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 6 0 0 0 13 19 1 0 0 0 0 13 26 1 1 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 1 0 0 0 18 29 1 0 0 0 0 19 28 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 22 24 1 0 0 0 0 22 31 2 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 34 1 6 0 0 0 24 38 1 0 0 0 0 25 32 1 0 0 0 0 25 40 1 1 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 29 41 1 0 0 0 0 30 36 2 0 0 0 0 32 37 2 0 0 0 0 33 37 1 0 0 0 0 33 39 2 0 0 0 0 34 42 1 0 0 0 0 36 39 1 0 0 0 0 36 43 1 0 0 0 0 39 44 1 0 0 0 0 44 54 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 45 56 1 1 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47 51 1 0 0 0 0 47 58 1 1 0 0 0 48 49 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 60 1 0 0 0 0 55 59 1 0 0 0 0 59 64 1 0 0 0 0 59 65 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 63 2 0 0 0 0 62 66 1 0 0 0 0 M CHG 3 1 2 8 -1 10 -1 M END > DB01853 > drugbank > [Mg++].CC[C@@H]1[C@@H](C)\C2=C\C3=C(C(C)=O)C(C)=C([N-]3)\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=C4[N-]\C(=C/C1=N2)C(C)=C4C(=O)[C@@H]3C(=O)OC > InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1 > DSJXIQQMORJERS-AGGZHOMASA-M > C55H74MgN4O6 > 911.524 > 910.54587782 > 8 > 140 > 105.76113364206014 > 0 > 0 > 0 > 0 > magnesium(2+) (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaene-7,24-diide > 12.819354726333337 > 1 > 6 > 0 > 13.644877845356028 > 11.747470961294425 > 5.778186776682927 > 138.3 > 261.62700000000007 > 22 > 0 > (L)-canavanine > 0 > DB01853 > EXPT00640 > experimental > Bacteriochlorophyll A > Bacterio-chlorophyll A $$$$