70678392 -OEChem-05112410402D 135137 0 1 0 0 0 0 0999 V2000 10.3312 0.5339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 7.1618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -4.1640 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.1236 4.3319 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4383 -7.2475 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 8.8939 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8903 -5.0300 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.9763 -8.8939 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.2690 2.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4292 8.0278 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 -4.1640 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.7953 7.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 6.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -5.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -3.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2320 -8.2260 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.8679 4.9997 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.7915 3.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4558 5.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4168 -7.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4597 -7.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7340 3.6175 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3621 -3.9548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.5339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1245 3.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9292 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5574 -2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 4.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 -3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3903 -4.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1729 3.9249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5381 2.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6845 3.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 -1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9657 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1064 -4.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 1.5339 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9292 5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 5.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8903 -3.2980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4288 3.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8903 -5.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 -5.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3903 -4.1640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4292 6.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8903 -5.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3793 3.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6445 -6.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 0.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 -0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 0.6165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 -1.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 -0.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -1.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 -1.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 1.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 0.8439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3635 4.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5829 4.1155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9823 3.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 3.1710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 2.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0403 2.4439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3925 2.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1724 2.9243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -2.7761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 -1.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 -1.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3997 -2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -1.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 -1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3997 -1.3950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6816 -4.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 -4.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3092 5.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5492 5.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 -2.7611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7208 4.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9409 4.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.4410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 -5.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3249 -5.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5725 -6.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7392 6.8327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 2.1416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.4513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 -5.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0873 3.1171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8672 3.2815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2197 -6.5003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9721 -5.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 64 1 0 0 0 0 2 14 1 0 0 0 0 2 17 2 0 0 0 0 2 18 2 0 0 0 0 2 66 1 0 0 0 0 3 16 1 0 0 0 0 3 19 2 0 0 0 0 3 20 2 0 0 0 0 3 68 1 0 0 0 0 4 22 1 0 0 0 0 4 23 2 0 0 0 0 4 24 2 0 0 0 0 4 73 1 0 0 0 0 5 21 1 0 0 0 0 5 25 2 0 0 0 0 5 26 2 0 0 0 0 5 74 1 0 0 0 0 9 57 1 0 0 0 0 9 58 1 0 0 0 0 10 50 1 0 0 0 0 10132 1 0 0 0 0 11 55 1 0 0 0 0 11133 1 0 0 0 0 12 58 1 0 0 0 0 12134 1 0 0 0 0 13 71 1 0 0 0 0 13135 1 0 0 0 0 15 75 2 0 0 0 0 27 35 2 0 0 0 0 27 42 1 0 0 0 0 27 51 1 0 0 0 0 28 40 1 0 0 0 0 28 45 1 0 0 0 0 28 56 1 0 0 0 0 29 60 1 0 0 0 0 29 75 1 0 0 0 0 29127 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 41 1 0 0 0 0 30 76 1 0 0 0 0 31 35 1 0 0 0 0 31 39 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 32 36 1 0 0 0 0 32 77 1 0 0 0 0 33 37 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 34 40 1 0 0 0 0 34 43 1 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 35 44 1 0 0 0 0 36 38 1 0 0 0 0 36 49 2 0 0 0 0 37 38 1 0 0 0 0 37 80 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 42 2 0 0 0 0 39 59 1 0 0 0 0 40 52 2 0 0 0 0 41 44 2 0 0 0 0 41 84 1 0 0 0 0 42 61 1 0 0 0 0 43 45 2 0 0 0 0 43 62 1 0 0 0 0 44 85 1 0 0 0 0 45 65 1 0 0 0 0 46 50 1 0 0 0 0 46 58 1 0 0 0 0 46 60 1 0 0 0 0 46 86 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 47 89 1 0 0 0 0 48 90 1 0 0 0 0 48 91 1 0 0 0 0 48 92 1 0 0 0 0 49 52 1 0 0 0 0 49 93 1 0 0 0 0 50 55 1 0 0 0 0 50 94 1 0 0 0 0 51 63 1 0 0 0 0 51 95 1 0 0 0 0 51 96 1 0 0 0 0 52 97 1 0 0 0 0 53 98 1 0 0 0 0 53 99 1 0 0 0 0 53100 1 0 0 0 0 54101 1 0 0 0 0 54102 1 0 0 0 0 54103 1 0 0 0 0 55 57 1 0 0 0 0 55104 1 0 0 0 0 56 67 1 0 0 0 0 56105 1 0 0 0 0 56106 1 0 0 0 0 57 71 1 0 0 0 0 57107 1 0 0 0 0 58108 1 0 0 0 0 59 66 2 0 0 0 0 59109 1 0 0 0 0 60110 1 0 0 0 0 60111 1 0 0 0 0 61 69 2 0 0 0 0 61112 1 0 0 0 0 62 68 2 0 0 0 0 62113 1 0 0 0 0 63 73 1 0 0 0 0 63114 1 0 0 0 0 63115 1 0 0 0 0 64 70 1 0 0 0 0 64116 1 0 0 0 0 64117 1 0 0 0 0 65 72 2 0 0 0 0 65118 1 0 0 0 0 66 69 1 0 0 0 0 67 74 1 0 0 0 0 67119 1 0 0 0 0 67120 1 0 0 0 0 68 72 1 0 0 0 0 69121 1 0 0 0 0 70 75 1 0 0 0 0 70122 1 0 0 0 0 70123 1 0 0 0 0 71124 1 0 0 0 0 71125 1 0 0 0 0 72126 1 0 0 0 0 73128 1 0 0 0 0 73129 1 0 0 0 0 74130 1 0 0 0 0 74131 1 0 0 0 0 M CHG 8 6 1 7 1 8 1 14 -1 16 -1 21 -1 22 -1 27 1 M END > 70678392 > 1 > 2530 > 20 > 5 > 19 > AAADcfB/PjBwAAAAAAAAAAAAAAAAAWIAAAA0YMEAAAAAAFgBQAAAHgQQCAAADxz12AeyyYPABgqoAyVyVHDCAEAhAhAIiJk4ZJgZMCLgkZGGYAhnlgDvyAfw8NYPgAQAgAACAAAACAEAAAwAAAAAAAAAAA== > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]vinyl]-2-[3-oxo-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]methylamino]propyl]sulfanyl-cyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)-2-indol-1-iumyl]ethenyl]-2-[[3-oxo-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]methylamino]propyl]thio]cyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)-5-indolesulfonate > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]-2-[3-oxo-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]propyl]sulfanylcyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)indole-5-sulfonate > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]-2-[3-oxo-3-[[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]methylamino]propyl]sulfanylcyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)indole-5-sulfonate > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]ethenyl]-2-[3-[[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]methylamino]-3-oxidanylidene-propyl]sulfanyl-cyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)indole-5-sulfonate > trisodium;(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-5-sulfonato-1-(3-sulfonatopropyl)indol-1-ium-2-yl]vinyl]-2-[[3-keto-3-[(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)methylamino]propyl]thio]cyclohexylidene]ethylidene]-3,3-dimethyl-1-(3-sulfonatopropyl)indoline-5-sulfonate > InChI=1S/C46H63N3O18S5.3Na/c1-45(2)33-24-30(71(61,62)63)12-14-35(33)48(19-6-22-69(55,56)57)38(45)16-10-28-8-5-9-29(43(28)68-21-18-40(51)47-26-32-41(52)42(53)37(27-50)67-44(32)54)11-17-39-46(3,4)34-25-31(72(64,65)66)13-15-36(34)49(39)20-7-23-70(58,59)60;;;/h10-17,24-25,28,32,37,41-44,50,52-54H,5-9,18-23,26-27H2,1-4H3,(H4-,47,51,55,56,57,58,59,60,61,62,63,64,65,66);;;/q;3*+1/p-3/b16-10+,29-11+,39-17+;;; > VOAMUTYADNWYPO-VEWZETGXSA-K > 1171.2168508 > C46H60N3Na3O18S5 > 1172.3 > CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC3CCCC(=CC=C4C(C5=C(N4CCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)C3SCCC(=O)NCC6C(C(C(OC6O)CO)O)O)CCCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+] > CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C3CCC/C(=C\C=C\4/C(C5=C(N4CCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)[O-])(C)C)/C3SCCC(=O)NCC6C(C(C(OC6O)CO)O)O)CCCS(=O)(=O)[O-])C.[Na+].[Na+].[Na+] > 413 > 1171.2168508 > 0 > 75 > 0 > 7 > 3 > 0 > 0 > 4 > -1 > 6 14 7 7 16 7 8 21 7 > 1 5 255 > 32 1 3 50 10 3 55 11 3 58 12 3 30 41 3 39 42 8 39 59 8 42 61 8 43 45 8 43 62 8 45 65 8 46 60 3 57 71 3 59 66 8 61 69 8 62 68 8 65 72 8 66 69 8 68 72 8 $$$$