71223776 -OEChem-05062403562D 81 81 0 1 0 0 0 0 0999 V2000 13.5596 -3.5254 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9996 0.5164 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.5896 4.2222 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.4463 -5.7126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 1.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 3.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 2.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6507 6.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1860 4.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 -5.4035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0596 -5.0643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 3.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 1.5457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3054 0.8766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0975 -0.1016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7702 2.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 3.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8406 -0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6961 3.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 2.4498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 1.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6327 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 4.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3758 -2.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 5.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1679 -3.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9111 -4.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8621 -3.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6053 -4.4254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5563 -4.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7642 -3.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2995 -4.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2505 -4.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5596 -3.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8686 -4.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8196 -4.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 0.9392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7661 0.4617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 0.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 4.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 -1.0030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1692 -0.2449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1569 3.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 4.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 4.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 2.8647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 1.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4196 1.8263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 1.0451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8028 0.6470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 0.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5568 -0.6022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3380 -1.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0578 -1.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -2.2746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4055 5.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8722 4.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9507 -2.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7044 -1.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5892 0.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 -0.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5783 -3.5877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 4.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 -4.6717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 -3.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 -3.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2404 6.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 -4.6170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 -3.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8932 -2.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1578 -3.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1706 -5.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3174 -6.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9856 -5.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1951 -3.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6280 -5.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4093 -4.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0112 -4.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 5 1 0 0 0 0 2 62 1 0 0 0 0 2 63 1 0 0 0 0 3 6 1 0 0 0 0 3 65 1 0 0 0 0 3 66 1 0 0 0 0 4 10 1 0 0 0 0 4 76 1 0 0 0 0 4 77 1 0 0 0 0 14 5 1 1 0 0 0 17 6 1 1 0 0 0 7 16 2 0 0 0 0 8 26 1 0 0 0 0 8 70 1 0 0 0 0 9 26 2 0 0 0 0 30 10 1 1 0 0 0 11 34 1 0 0 0 0 11 36 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 1 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 6 0 0 0 15 40 1 0 0 0 0 17 24 1 0 0 0 0 17 41 1 0 0 0 0 18 23 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 26 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 27 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 27 28 2 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 33 75 1 0 0 0 0 34 35 2 0 0 0 0 35 78 1 0 0 0 0 36 37 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 M END > 71223776 > 1 > 781 > 8 > 1 > 18 > AAADcfB6OANAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgQACCAQDxyl1gKiiRIIEwisA6TyTACC8KBhCjgIiBUQIBgIBBagAQAAUAAF4ACogAeI7uSvAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,16-pentamethyl-17-(2-methylthiazol-4-yl)-5-oxo-3,7,15-tris(phosphanyloxy)heptadeca-12,16-dienoic acid > (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,16-pentamethyl-17-(2-methyl-4-thiazolyl)-5-oxo-3,7,15-triphosphinooxyheptadeca-12,16-dienoic acid > (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-3,7,15-tris(phosphanyloxy)heptadeca-12,16-dienoic acid > (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxo-3,7,15-tris(phosphanyloxy)heptadeca-12,16-dienoic acid > (3S,6R,7S,8S,12Z,15S,16E)-4,4,6,8,16-pentamethyl-17-(2-methyl-1,3-thiazol-4-yl)-5-oxidanylidene-3,7,15-tris(phosphanyloxy)heptadeca-12,16-dienoic acid > (3S,6R,7S,8S,12Z,15S,16E)-5-keto-4,4,6,8,16-pentamethyl-17-(2-methylthiazol-4-yl)-3,7,15-triphosphinooxy-heptadeca-12,16-dienoic acid > InChI=1S/C26H44NO6P3S/c1-16(24(33-36)18(3)25(30)26(5,6)22(32-35)14-23(28)29)11-9-7-8-10-12-21(31-34)17(2)13-20-15-37-19(4)27-20/h8,10,13,15-16,18,21-22,24H,7,9,11-12,14,34-36H2,1-6H3,(H,28,29)/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1 > NITRVSNENXIUKJ-QJKGZULSSA-N > 5.3 > 591.21022029 > C26H44NO6P3S > 591.6 > CC1=NC(=CS1)C=C(C)C(CC=CCCCC(C)C(C(C)C(=O)C(C)(C)C(CC(=O)O)OP)OP)OP > CC1=NC(=CS1)/C=C(\C)/[C@H](C/C=C\CCC[C@H](C)[C@@H]([C@@H](C)C(=O)C(C)(C)[C@H](CC(=O)O)OP)OP)OP > 123 > 591.21022029 > 0 > 37 > 5 > 0 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 1 35 8 1 36 8 30 10 5 11 34 8 11 36 8 13 21 5 15 22 6 34 35 8 14 5 5 17 6 5 $$$$