Marvin 05010716162D 66 72 0 0 0 0 999 V2000 -1.6487 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 1.6696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7305 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6487 -0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0661 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8557 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 -0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 0.8557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6745 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 -2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -2.8840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0240 -3.5985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -3.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -4.3129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0385 -4.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -2.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4400 -2.8703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -3.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1545 -4.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -4.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -4.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5834 -4.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -4.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0124 -4.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7269 -4.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0123 -3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4414 -4.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1556 -4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8701 -4.1075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5846 -4.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8701 -3.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2990 -4.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0135 -4.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7279 -4.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4424 -4.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7279 -3.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1568 -4.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8714 -4.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5857 -4.1072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -13.5856 -3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3002 -4.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 -1.4609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8213 -1.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6535 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0701 3.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 3.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 15 1 2 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 22 2 1 0 0 0 0 20 2 2 0 0 0 0 3 4 2 0 0 0 0 4 12 1 0 0 0 0 17 4 1 0 0 0 0 5 6 1 0 0 0 0 12 5 2 0 0 0 0 21 5 1 0 0 0 0 6 7 2 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 27 2 0 0 0 0 28 8 1 0 0 0 0 13 8 1 0 0 0 0 9 27 1 0 0 0 0 14 9 2 0 0 0 0 36 9 1 0 0 0 0 10 11 2 0 0 0 0 14 10 1 0 0 0 0 62 10 1 0 0 0 0 23 13 1 0 0 0 0 20 15 1 0 0 0 0 15 16 1 0 0 0 0 17 21 2 0 0 0 0 17 26 1 0 0 0 0 18 28 2 0 0 0 0 18 19 1 0 0 0 0 62 36 1 0 0 0 0 20 64 1 0 0 0 0 64 66 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 31 29 1 0 0 0 0 29 30 2 0 0 0 0 31 33 1 6 0 0 0 33 32 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 38 37 1 0 0 0 0 36 37 1 1 0 0 0 38 39 1 0 0 0 0 39 41 1 0 0 0 0 39 40 2 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 2 0 0 0 0 45 44 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 49 51 1 1 0 0 0 52 50 1 0 0 0 0 53 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 54 56 1 1 0 0 0 57 55 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 59 1 0 0 0 0 62 63 1 6 0 0 0 64 65 1 0 0 0 0 M END > CHEBI:38199 > chlorophyll d > 3 > chlorophyll d > C54H70MgN4O6 > 895.46196 > 894.51458 > 0 > [H]C(=O)c1c(C)c2\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=c4c(C(=O)[C@@H]3C(=O)OC)c(C)c3=CC5=N\C(=C/c1n2[Mg]n43)\C(C)=C5CC > InChI=1S/C54H71N4O6.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,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24+;/t31-,32-,35+,39+,50-;/m1./s1 > QXWRYZIMSXOOPY-SKHCYZARSA-M > 9543799 > 519-63-1 > 519-63-1 $$$$