Mrv1572004261601462D 71 75 0 0 0 0 999 V2000 1.2877 -3.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8164 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1019 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3862 -0.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1862 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -2.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9361 1.3984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0441 2.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -1.1767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3488 3.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7243 -3.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6730 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9572 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3875 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9585 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6717 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2427 -1.9027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 1.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4994 0.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -0.5703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -0.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 2.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0038 -0.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 -1.3538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7663 0.9063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1019 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2440 -1.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3862 -1.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5283 -1.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7876 1.8486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5715 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 -0.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5002 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5633 1.5678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8523 0.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 -1.0970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8149 2.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5009 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0069 -1.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2013 0.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 0.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8256 1.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6396 1.5920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0701 2.2188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7016 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0187 0.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -0.8682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4818 0.9275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6075 2.9020 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 3.1218 0.0554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7009 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8721 0.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6946 3.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 2.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 0.0000 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 -1.2204 -0.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9585 -1.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1006 -1.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 2.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 2.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 2.2665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 0 0 0 0 16 13 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 23 22 1 0 0 0 0 25 24 1 0 0 0 0 30 2 1 0 0 0 0 30 3 1 0 0 0 0 30 16 1 0 0 0 0 31 4 1 6 0 0 0 31 17 1 0 0 0 0 31 18 1 0 0 0 0 32 5 1 6 0 0 0 32 19 1 0 0 0 0 32 20 1 0 0 0 0 33 6 1 0 0 0 0 33 21 1 0 0 0 0 33 24 2 0 0 0 0 34 7 1 0 0 0 0 35 8 1 1 0 0 0 36 9 1 0 0 0 0 37 10 1 0 0 0 0 38 12 1 0 0 0 0 38 34 2 0 0 0 0 39 22 1 1 0 0 0 39 35 1 0 0 0 0 40 29 2 0 0 0 0 40 36 1 0 0 0 0 26 41 1 4 0 0 0 41 36 2 0 0 0 0 42 27 2 0 0 0 0 42 34 1 0 0 0 0 43 26 2 0 0 0 0 43 35 1 0 0 0 0 44 28 2 0 0 0 0 44 37 1 0 0 0 0 28 45 1 4 0 0 0 45 38 1 0 0 0 0 27 46 1 4 0 0 0 46 40 1 0 0 0 0 47 23 1 0 0 0 0 48 37 2 0 0 0 0 50 49 1 0 0 0 0 51 39 1 0 0 0 0 51 49 2 0 0 0 0 52 48 1 0 0 0 0 52 49 1 0 0 0 0 53 48 1 0 0 0 0 53 50 1 0 0 0 0 50 54 1 6 0 0 0 55 42 1 0 0 0 0 55 45 2 0 0 0 0 56 41 1 0 0 0 0 56 46 2 0 0 0 0 57 43 1 0 0 0 0 57 51 1 0 0 0 0 58 44 1 0 0 0 0 58 52 2 0 0 0 0 29 59 1 4 0 0 0 60 47 2 0 0 0 0 61 53 2 0 0 0 0 62 54 2 0 0 0 0 63 11 1 0 0 0 0 63 54 1 0 0 0 0 64 25 1 0 0 0 0 64 47 1 0 0 0 0 66 24 1 0 0 0 0 31 67 1 1 0 0 0 32 68 1 1 0 0 0 35 69 1 6 0 0 0 39 70 1 1 0 0 0 50 71 1 1 0 0 0 M CHG 2 57 -1 65 2 M END > CHEM030794 > chemdb > [Mg++].[H]\C(COC(=O)CC[C@@]1([H])\C2=C3/C4=NC(=CC5=NC(=CC6=NC(C=C([N-]2)[C@]1([H])C)=C(C)C6=CO)C(C)=C5CC)C(C)=C4C(=O)[C@@]3([H])C(=O)OC)=C(\C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCCC(C)C > InChI=1S/C54H72N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H2,55,56,57,58,59,61);/q;+2/p-1/b33-24+;/t31-,32-,35+,39+,50-;/m0./s1 > DKHQTPUVMZRCCA-NOSWYKELSA-M > C54H71MgN4O6 > 896.488 > 895.52185414 > 8 > 136 > 107.42294075780256 > 0 > 1 > 1 > 0 > magnesium(2+) ion (3S,21R,22R)-11-ethyl-16-(hydroxymethylidene)-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7S,11S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),17,19-decaen-23-ide > 8.81 > 7.708947328163789 > -6.27 > 1 > 6 > 0 > 4.365065115001286 > -7.8207988885915904 > 17.06238304057558 > 136.21 > 264.44309999999996 > 21 > 0 > 5.03e-04 g/l > magnesium(2+) ion (3S,21R,22R)-11-ethyl-16-(hydroxymethylidene)-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E,7S,11S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),17,19-decaen-23-ide > 0 > Chlorophyll d > 519-63-1 $$$$