Marvin 05090715002D 64 69 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 -1.6535 2.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 3.0557 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 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 24 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 24 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 23 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 28 2 0 0 0 0 29 8 1 0 0 0 0 13 8 1 0 0 0 0 9 28 1 0 0 0 0 14 9 2 0 0 0 0 37 9 1 0 0 0 0 10 11 2 0 0 0 0 14 10 1 0 0 0 0 63 10 1 0 0 0 0 20 15 1 0 0 0 0 15 16 1 0 0 0 0 17 23 2 0 0 0 0 17 27 1 0 0 0 0 18 29 2 0 0 0 0 18 19 1 0 0 0 0 63 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 28 32 1 0 0 0 0 29 30 1 0 0 0 0 32 30 1 0 0 0 0 30 31 2 0 0 0 0 32 34 1 6 0 0 0 34 33 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 39 38 1 0 0 0 0 37 38 1 1 0 0 0 39 40 1 0 0 0 0 40 42 1 0 0 0 0 40 41 2 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 2 0 0 0 0 46 45 1 0 0 0 0 47 45 1 0 0 0 0 48 46 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 50 52 1 1 0 0 0 53 51 1 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 1 0 0 0 0 55 57 1 1 0 0 0 58 56 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 60 1 0 0 0 0 63 64 1 6 0 0 0 M END > CHEBI:44898 > pheophytin a > 3 > CHEBI:38255; CHEBI:44895 > pheophytin a; PHEOPHYTIN A; Phaeophytin-a; phaeophytin a; methyl (3S,4S,21R)-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-9-vinylphorbine-21-carboxylate > C55H74N4O5 > 871.20002 > 870.56592 > 0 > CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]4C)c4[C@@H](C(=O)OC)C(=O)c5c(C)c(cc1n2)[nH]c45)c(C)c3C=C > InChI=1S/C55H74N4O5/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/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1 > CQIKWXUXPNUNDV-RCBXBCQGSA-N > 79531 > 603-17-8 > 665838 > 603-17-8 > C05797 > PHO $$$$