Ketcher 02091610442D 1 1.00000 0.00000 0 66 74 0 1 0 999 V2000 16.6329 -2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7372 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5716 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4306 -1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5347 -2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0256 -3.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5347 -4.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4306 -5.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7372 -5.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6329 -4.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1421 -3.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5777 -2.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5777 -4.7401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5898 -4.7401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1912 -2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2542 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2894 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0010 -5.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 -5.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -1.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6274 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6902 -0.1410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0010 -2.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5898 -2.7278 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5716 -3.7339 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 -1.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6239 -2.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5404 -0.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5716 -6.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2894 -6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0384 -7.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5234 -7.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8226 -7.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3675 -7.9652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3376 -7.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8226 -8.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7926 -8.8052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -7.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0381 -7.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0381 -8.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8785 -9.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1981 -9.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1912 -5.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2542 -5.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3132 0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1982 -10.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0384 -10.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0385 -11.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8786 -11.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7186 -11.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5587 -11.9590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3989 -11.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2389 -11.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0789 -11.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9191 -11.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7591 -11.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5991 -11.9589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1985 -11.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3988 -10.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7591 -10.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4393 -11.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2794 -11.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1194 -11.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9595 -11.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1194 -10.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 15 1 1 0 0 0 1 11 2 0 0 0 2 3 2 0 0 0 24 2 1 0 0 0 20 2 1 0 0 0 3 4 1 0 0 0 4 12 2 0 0 0 17 4 1 0 0 0 5 6 2 0 0 0 12 5 1 0 0 0 23 5 1 0 0 0 6 7 1 0 0 0 7 13 1 0 0 0 7 18 2 0 0 0 8 29 1 0 0 0 30 8 2 0 0 0 13 8 1 0 0 0 9 29 2 0 0 0 14 9 1 0 0 0 38 9 1 0 0 0 10 11 1 0 0 0 14 10 2 0 0 0 44 10 1 0 0 0 25 13 1 0 0 0 20 15 2 0 0 0 15 16 1 0 0 0 17 23 1 0 0 0 17 28 1 6 0 0 18 30 1 0 0 0 18 19 1 0 0 0 38 44 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 23 26 1 1 0 0 24 25 1 0 0 0 26 27 1 0 0 0 29 33 1 0 0 0 30 31 1 0 0 0 33 31 1 0 0 0 31 32 2 0 0 0 33 35 1 6 0 0 35 34 2 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 40 39 1 0 0 0 38 39 1 1 0 0 40 41 1 0 0 0 41 43 1 0 0 0 41 42 2 0 0 0 44 45 1 6 0 0 12 25 1 0 0 0 14 25 1 0 0 0 21 46 1 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 2 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 2 0 0 0 57 58 1 0 0 0 43 47 1 0 0 0 49 59 1 0 0 0 53 60 1 0 0 0 57 61 1 0 0 0 62 63 1 0 0 0 63 64 2 0 0 0 64 65 1 0 0 0 58 62 1 0 0 0 64 66 1 0 0 0 M CHG 3 12 1 14 1 25 -2 M END > CHEBI:91131 > geranylgeranyl bacteriochlorophyllide a > A chlorophyll that is the ester obtained by formal condensation between the carboxy group of bacteriochlorophyllide a and the hydroxy group of geranylgeraniol. > 3 > geranylgeranyl-bacteriochlorophyll a > [methyl (3S,4S,13R,14R,21R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(2-)-kappa(4)N(23),N(24),N(25),N(26)]magnesium > C55H68MgN4O6 > 905.459 > 904.49893 > 0 > C=12N3C(=CC4=[N+]5C(=CC=6N7C=8C(=C9[N+](=C(C1)[C@H]([C@@H]9CCC(OC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)=O)C)[Mg-2]735)[C@H](C(C8C6C)=O)C(=O)OC)[C@@H]([C@H]4C)CC)C(=C2C)C(=O)C > InChI=1S/C55H69N4O6.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;/h17,19,21,25,27-29,34-35,39-40,51H,13-16,18,20,22-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,32-21+,33-25+;/t34-,35+,39-,40+,51-;/m1./s1 > HBYYRBWSVSZZHE-FVVSHTJESA-M > 9250438 > CPD-9088 $$$$