Accord 08271317182D 137144 0 0 0 0 0 0 0 0999 V2000 24.1479 7.3026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3999 7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6518 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5803 6.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7155 6.5547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8962 7.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9320 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9320 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1840 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8071 8.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9831 8.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4305 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6765 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9227 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1687 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4148 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6608 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9070 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1530 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3990 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8912 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1373 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6293 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8755 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3676 6.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6137 6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8975 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1436 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3897 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6357 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8818 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1279 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3739 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6200 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8660 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1122 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3582 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6043 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8504 7.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0964 7.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9014 10.0421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2172 9.7789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2555 10.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2879 9.8004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7878 10.6666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7495 10.3918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3023 10.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3734 9.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5594 9.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2502 10.3563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7171 10.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8239 11.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5659 10.0931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6042 10.3680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6367 10.1146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1365 10.9807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0982 10.7060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6510 10.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7221 9.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9081 10.3098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1253 11.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0659 10.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1726 11.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5989 12.2811 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6373 12.5560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6697 12.3025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1695 13.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1312 12.8939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6840 13.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7552 12.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9411 12.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1583 13.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0989 13.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2056 13.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9410 11.6030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9794 11.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0118 11.6245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5117 12.4907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4733 12.2159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0261 12.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0973 11.4442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 11.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5004 12.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4410 12.4693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5477 12.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9619 11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2960 10.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 11.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8635 13.4560 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.9018 13.7310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9343 13.4775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4341 14.3437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3958 14.0689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9486 14.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0197 13.2972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2057 13.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8965 14.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3634 14.3223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4702 14.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8843 13.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2185 12.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4487 13.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2122 13.7701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2505 14.0451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2830 13.7916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7828 14.6578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7445 14.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2973 14.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3685 13.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 15.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 14.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 14.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3635 13.5675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3725 12.6990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5373 12.4608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7588 11.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9308 12.6987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5266 12.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8308 13.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3828 11.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 11.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 12.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2831 10.9249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3155 10.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6116 9.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7402 10.4524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7078 10.7053 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1915 10.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6377 10.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8851 9.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4437 10.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4118 11.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4621 11.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 99117 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 85127 1 0 0 0 0 M END > LMSP0502AH03 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6(Galbeta1-3)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O42 > 1956.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260222 > - > - > Active (generated by computational methods) > - $$$$