Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 21.7950 7.3077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0452 7.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2950 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2284 6.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3615 6.5579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5452 7.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5760 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5760 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8262 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4534 8.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6272 8.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0708 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3149 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5591 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8032 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0474 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2916 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5357 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7799 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0241 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2682 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5124 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7565 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0007 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2449 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 6.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7332 6.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5389 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7831 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0272 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2714 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5155 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7597 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4922 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7363 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9805 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2247 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4689 7.7394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7131 7.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5501 10.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8643 9.7894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9005 10.0650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9308 9.8109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4296 10.6790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3934 10.4036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9452 10.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0187 9.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2006 10.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8908 10.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3632 10.6576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4680 11.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2050 10.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2412 10.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2715 10.1257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7702 10.9938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7340 10.7185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2859 10.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3594 9.9451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5413 10.3215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7590 11.5585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7038 10.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8086 11.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2314 12.2970 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2676 12.5726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2979 12.3186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7967 13.1867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7605 12.9113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3123 13.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3858 12.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5677 12.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7854 13.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7303 13.1652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8351 13.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5654 11.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6017 11.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6320 11.6390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1307 12.5071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0945 12.2317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6463 12.4905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7198 11.4584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9018 11.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1194 12.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0643 12.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1691 12.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5841 11.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 11.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1476 11.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0577 11.9402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2682 11.3225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9038 10.3887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9069 10.4933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6962 11.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2234 10.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 11.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 9.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0608 12.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2466 11.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7808 10.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1717 11.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5242 10.5753 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 3 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 83 90 1 0 0 0 0 M END > LMSP0502AC02 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260181 > - > - > Active (generated by computational methods) > - $$$$