Ketcher 02172010062D 1 1.00000 0.00000 0 43 46 0 1 0 999 V2000 12.6538 -8.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1502 -9.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1447 -7.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1762 -9.3514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 -10.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4213 -10.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 -10.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2063 -10.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0781 -10.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2268 -9.3448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9910 -10.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2137 -9.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6722 -10.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7426 -8.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2082 -7.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2202 -7.2563 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0653 -6.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9753 -5.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6610 -6.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3183 -6.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1696 -7.2628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6862 -6.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4055 -5.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4133 -5.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8699 -5.7986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1461 -11.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0967 -12.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2518 -13.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4563 -13.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2023 -13.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2724 -11.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 -12.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8853 -13.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9369 -13.7989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6848 -14.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2503 -4.8351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2998 -4.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6859 -6.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2962 -7.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1240 -4.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6982 -10.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7105 -10.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6982 -6.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 2 0 0 0 5 2 1 0 0 0 4 2 2 0 0 0 21 3 1 0 0 0 22 3 1 0 0 0 7 4 1 0 0 0 6 5 2 0 0 0 42 5 1 0 0 0 7 6 1 0 0 0 31 6 1 0 0 0 8 7 2 0 0 0 9 8 1 0 0 0 10 9 1 0 0 0 11 9 2 0 0 0 12 10 1 0 0 0 13 11 1 0 0 0 26 11 1 0 0 0 13 12 2 0 0 0 14 12 1 0 0 0 41 13 1 0 0 0 15 14 2 0 0 0 16 15 1 0 0 0 19 15 1 0 0 0 17 16 1 0 0 0 18 17 1 0 0 0 24 17 2 0 0 0 19 18 1 0 0 0 18 40 1 6 0 0 38 19 2 0 0 0 21 20 1 0 0 0 23 20 1 0 0 0 25 20 2 0 0 0 23 22 2 0 0 0 43 22 1 0 0 0 36 23 1 0 0 0 27 26 1 0 0 0 28 27 1 0 0 0 29 28 1 0 0 0 30 28 2 0 0 0 32 31 1 0 0 0 33 32 1 0 0 0 34 33 2 0 0 0 35 33 1 0 0 0 37 36 2 0 0 0 39 38 1 0 0 0 M END > CHEBI:15619 > (3Z)-phytochromobilin > The (3Z)-isomer of phytochromobilin. > 3 > CHEBI:10897; CHEBI:225 > (3Z)-Phytochromobilin > 3-(2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-{(Z)-[(3Z,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid > C33H36N4O6 > 584.673 > 584.26348 > 0 > C(\C=1C(=C(\C(\N1)=C\C=2NC(=C(C2CCC(O)=O)C)/C=C/3\NC([C@@H](\C3=C\C)C)=O)CCC(=O)O)C)=C/4\NC(C(=C4C)C=C)=O > InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7-,26-13-,27-14-,28-15-/t19-/m1/s1 > DKMLMZVDTGOEGU-AIKFXVFZSA-N > C05913 $$$$