Mrv1909 12101923402D 65 69 0 0 0 0 999 V2000 2.3966 5.4847 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 3.8151 2.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4258 2.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 2.6770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6698 2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9108 1.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 0.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4717 1.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 3.5161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 3.9147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 4.6840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0661 4.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6818 5.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0536 6.2884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 6.4378 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.0153 7.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7444 7.6225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4585 7.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6035 6.4280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3762 6.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 5.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4195 4.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 4.6951 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.4583 3.9003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 3.5290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 4.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 4.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7793 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9987 6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 7.6398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 8.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 7.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2799 8.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5585 8.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 6.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1285 6.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6943 4.0562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1332 4.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2594 3.4985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2594 2.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 2.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 1.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 0.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -0.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -1.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -1.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6429 -2.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -2.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3765 -3.4737 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6659 -3.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -3.8795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -4.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8284 -5.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8284 -5.9352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1179 -6.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 -6.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5468 -7.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -7.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 -8.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5698 -8.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 -8.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 1.0305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 5 8 2 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 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 23 24 1 0 0 0 0 24 9 1 0 0 0 0 24 25 2 0 0 0 0 25 2 1 0 0 0 0 25 26 1 0 0 0 0 26 22 2 0 0 0 0 26 27 1 0 0 0 0 20 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 28 31 2 0 0 0 0 31 18 1 0 0 0 0 31 32 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 33 36 2 0 0 0 0 36 14 1 0 0 0 0 36 37 1 0 0 0 0 12 38 1 0 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 40 10 1 0 0 0 0 40 41 1 1 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 6 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 6 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 43 65 2 0 0 0 0 M CHG 3 1 2 15 -1 23 -1 M END > DB02133 > drugbank > [Mg++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C3=C([N-]1)\C([C@@H](C(=O)OC)C3=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)[C@@H](C)[C@@H]1CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C > InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1 > ATNHDLDRLWWWCB-AENOIHSZSA-M > C55H72MgN4O5 > 893.509 > 892.53531313 > 7 > 137 > 107.46099913310567 > 0 > 0 > 0 > 0 > magnesium(2+) (3R,21S,22S)-16-ethenyl-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-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-7,24-diide > 8.37 > 14.731759500999999 > -6.84 > 1 > 6 > 0 > 16.220845373263362 > 11.749866876161928 > 4.945905004488151 > 121.23000000000002 > 261.4315000000001 > 22 > 0 > 1.38e-04 g/l > L-thiocitrulline > 0 > DB02133 > EXPT00935 > experimental > Chlorophyll A $$$$