Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 22.0052 7.2981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2589 7.7279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5123 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4366 6.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5737 6.5518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7519 7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7918 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7918 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0456 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6652 8.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8429 8.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2937 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5413 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7891 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0367 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2845 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5321 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7799 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0275 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2753 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5230 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7706 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0184 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2660 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7614 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0092 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2568 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7522 6.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7597 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0074 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2550 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5028 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7504 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9982 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2458 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4936 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7413 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2367 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4843 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 7.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9797 7.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7572 10.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0743 9.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1146 10.0440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1490 9.7910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6498 10.6555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6096 10.3812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1633 10.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2323 9.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4218 9.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1133 10.3457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5753 10.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6838 10.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4304 10.0831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4706 10.3575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5050 10.1045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0059 10.9690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9656 10.6947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5193 10.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5883 9.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7779 10.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9946 11.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9313 10.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0399 11.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4693 12.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5096 12.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5439 12.2881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0448 13.1526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0045 12.8784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5582 13.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6272 12.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 12.4830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0336 13.7149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 13.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0788 13.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8187 11.5900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8590 11.8644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8934 11.6114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3942 12.4759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3540 12.2017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9076 12.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9767 11.4315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1662 11.8063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 12.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3197 12.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4282 12.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8415 11.2209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 10.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4068 11.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3507 13.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6643 14.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7043 14.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7147 15.4489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4012 14.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1482 15.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5452 13.7445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1777 14.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9217 15.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3612 14.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7743 15.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3217 13.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4870 13.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9474 13.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1796 14.0956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2198 14.3700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2542 14.1170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7551 14.9815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7148 14.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2685 14.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 13.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5271 14.3119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7438 15.5438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6805 14.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7891 15.3145 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 77 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 M END > LMISSP0502BL04 > > GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260463 > - > - > Active (generated by computational methods) > - $$$$