Mrv0541 03201513092D 134147 0 0 0 0 999 V2000 5.9605 -7.6683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9605 -8.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -7.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -9.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5314 -7.6683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -7.2558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1024 -7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -9.3035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1024 -8.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -10.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 -10.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 -10.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -9.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6749 -10.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 -10.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5312 -11.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -11.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 -10.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1024 -11.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9601 -11.3662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 -11.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -12.6036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5310 -13.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9599 -13.0162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5309 -13.8410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9598 -13.8412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2453 -14.2536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6765 -12.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -14.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2443 -15.0790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8163 -14.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0975 -13.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -11.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 -7.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -6.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -7.2558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3895 -7.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3894 -8.4934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1039 -7.2560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8184 -7.6686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 -7.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2471 -7.6688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5326 -8.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2470 -8.4937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5303 -6.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9615 -7.2566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6758 -7.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9612 -8.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6756 -8.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3932 -7.2558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3932 -5.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -5.8343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 -5.8343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6775 -5.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9611 -5.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6811 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2485 -5.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 -4.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2522 -4.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3955 -5.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8245 -5.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -4.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8269 -4.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1137 -4.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 -5.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5272 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -5.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 -4.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9573 -5.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9562 -4.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6674 -4.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 -4.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9717 -3.3491 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2459 -3.3591 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -2.7129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5326 -9.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9611 -9.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2468 -10.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8146 -10.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 -10.1485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3932 -9.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3981 -8.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1052 -10.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1151 -8.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8221 -9.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8271 -8.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1089 -10.9835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8346 -8.0908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8346 -7.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5503 -6.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1188 -6.8582 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9797 -7.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5503 -8.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8219 -2.2981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8192 -1.4731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5378 -2.7082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5324 -1.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2509 -2.2934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2482 -1.4684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5338 -0.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 -1.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9653 -2.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6810 -2.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 -1.0578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -5.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -4.5932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8258 -4.1859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3969 -4.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8318 -3.3608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4029 -3.3504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1203 -2.9432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6830 -4.5856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6856 -5.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9786 -5.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 -5.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -2.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -2.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5507 -2.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5481 -2.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2256 -8.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 -8.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 -7.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5337 -9.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6725 -1.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3867 -2.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0969 -0.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3831 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6679 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 0.1752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 -0.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 6 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 12 8 1 0 0 0 0 4 2 2 0 0 0 0 14 13 2 0 0 0 0 10 4 1 0 0 0 0 15 14 1 0 0 0 0 15 10 2 0 0 0 0 12 11 2 0 0 0 0 17 16 2 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 19 18 2 0 0 0 0 11 10 1 0 0 0 0 20 15 1 0 0 0 0 16 11 1 0 0 0 0 21 16 1 0 0 0 0 23 22 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 27 26 1 0 0 0 0 22 21 1 6 0 0 0 24 28 1 1 0 0 0 26 29 1 1 0 0 0 27 30 1 6 0 0 0 25 31 1 1 0 0 0 31 32 1 0 0 0 0 19 33 1 0 0 0 0 7 34 2 0 0 0 0 3 35 2 0 0 0 0 1 36 1 6 0 0 0 2 1 1 0 0 0 0 37 36 1 0 0 0 0 13 2 1 0 0 0 0 38 37 2 0 0 0 0 39 37 1 0 0 0 0 39 40 1 1 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 41 45 2 0 0 0 0 42 46 1 1 0 0 0 44 42 1 0 0 0 0 47 46 1 0 0 0 0 49 47 2 0 0 0 0 47 50 1 0 0 0 0 50 51 1 0 0 0 0 39 52 1 0 0 0 0 6 53 1 0 0 0 0 51 54 1 0 0 0 0 55 54 1 0 0 0 0 56 54 2 0 0 0 0 57 55 2 0 0 0 0 58 56 1 0 0 0 0 59 57 1 0 0 0 0 59 58 2 0 0 0 0 60 52 1 0 0 0 0 61 52 2 0 0 0 0 62 60 2 0 0 0 0 63 61 1 0 0 0 0 64 62 1 0 0 0 0 64 63 2 0 0 0 0 66 65 1 0 0 0 0 67 65 2 0 0 0 0 68 66 2 0 0 0 0 69 67 1 0 0 0 0 70 68 1 0 0 0 0 70 69 2 0 0 0 0 53 65 1 0 0 0 0 70 71 1 0 0 0 0 62 71 1 0 0 0 0 63 72 1 0 0 0 0 59 72 1 0 0 0 0 58 73 1 0 0 0 0 68 74 1 0 0 0 0 64 75 1 0 0 0 0 43 44 1 0 0 0 0 48 44 2 0 0 0 0 76 43 2 0 0 0 0 77 48 1 0 0 0 0 78 76 1 0 0 0 0 78 77 2 0 0 0 0 76 79 1 0 0 0 0 77 80 1 0 0 0 0 80 81 1 0 0 0 0 82 81 1 0 0 0 0 83 81 2 0 0 0 0 84 82 2 0 0 0 0 85 83 1 0 0 0 0 86 84 1 0 0 0 0 86 85 2 0 0 0 0 83 87 1 0 0 0 0 88 89 1 0 0 0 0 89 90 2 0 0 0 0 89 91 1 0 0 0 0 50 91 1 1 0 0 0 50 92 1 6 0 0 0 84 88 1 0 0 0 0 88 93 1 6 0 0 0 95 94 1 0 0 0 0 96 94 1 0 0 0 0 97 95 1 0 0 0 0 98 96 1 0 0 0 0 99 97 1 0 0 0 0 99 98 1 0 0 0 0 94 75 1 1 0 0 0 97100 1 1 0 0 0 99101 1 6 0 0 0 98102 1 1 0 0 0 102103 1 0 0 0 0 95104 1 6 0 0 0 53105 1 6 0 0 0 106105 1 1 0 0 0 107106 1 0 0 0 0 108106 1 0 0 0 0 109107 1 0 0 0 0 110108 1 0 0 0 0 111109 1 0 0 0 0 111110 1 0 0 0 0 108112 1 6 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 110116 1 1 0 0 0 111117 1 6 0 0 0 109118 1 1 0 0 0 118119 1 0 0 0 0 8120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 8123 1 1 0 0 0 125124 1 0 0 0 0 125126 2 0 0 0 0 104125 1 0 0 0 0 128127 1 0 0 0 0 129128 1 0 0 0 0 130129 1 0 0 0 0 131130 1 0 0 0 0 132131 2 0 0 0 0 133132 1 0 0 0 0 124133 1 0 0 0 0 127134 1 0 0 0 0 M END > CHEBI:34995 > teicoplanin A2-1 > A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group. > 3 > Teicoplanin A2-1; Teichomycin A2 factor 1; (Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone; (Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone > C88H95Cl2N9O33 > 1877.64200 > 1875.54093 > 0 > CCCCC\C=C/CCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Nc1c2Oc3ccc(C[C@H]4NC(=O)[C@H](N)c5ccc(O)c(Oc6cc(O)cc(c6)[C@H](NC4=O)C(=O)N[C@@H]4c(c2)cc1Oc1ccc(cc1Cl)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)[C@@H]1NC(=O)[C@H](NC4=O)c2ccc(O)c(c2)-c2c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)cc2[C@H](NC1=O)C(O)=O)c5)cc3Cl > InChI=1S/C88H95Cl2N9O33/c1-3-4-5-6-7-8-9-10-60(108)131-78-75(114)72(111)57(31-100)127-85(78)99-67-55-26-40-27-56(67)126-52-18-14-38(24-47(52)90)77(132-87-68(92-34(2)103)73(112)70(109)58(32-101)129-87)69-84(121)97-66(86(122)123)45-29-42(105)30-54(128-88-76(115)74(113)71(110)59(33-102)130-88)61(45)44-23-37(13-15-49(44)106)63(81(118)98-69)95-83(120)65(40)96-82(119)64-39-21-41(104)28-43(22-39)124-53-25-36(12-16-50(53)107)62(91)80(117)93-48(79(116)94-64)20-35-11-17-51(125-55)46(89)19-35/h7-8,11-19,21-30,48,57-59,62-66,68-78,85,87-88,99-102,104-107,109-115H,3-6,9-10,20,31-33,91H2,1-2H3,(H,92,103)(H,93,117)(H,94,116)(H,95,120)(H,96,119)(H,97,121)(H,98,118)(H,122,123)/b8-7-/t48-,57-,58-,59-,62-,63-,64+,65-,66+,68-,69+,70-,71-,72-,73-,74+,75+,76+,77-,78-,85-,87+,88+/m1/s1 > SGSMSXWFVXNLOG-UCNABHHISA-N > 91032-34-7 > 6261779 > 91032-34-7 > C13587 $$$$