Accord 08271317192D 120126 0 0 0 0 0 0 0 0999 V2000 22.2973 7.7726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5604 8.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8234 7.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7233 7.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8713 7.0356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0345 8.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0994 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0994 5.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3625 7.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9616 8.8916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1496 8.9079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6201 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 7.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1345 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3918 7.0258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6491 6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0803 8.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3375 7.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5947 8.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8519 7.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1090 8.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3664 7.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6236 8.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8808 7.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6491 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8808 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0669 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2531 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4391 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6252 7.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8114 6.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8423 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0356 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2288 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4221 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6153 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8085 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0018 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1950 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3883 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5815 5.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0396 10.4709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3656 10.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4185 10.4825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4655 10.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9729 11.0860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9201 10.8154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4796 11.0697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5346 10.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7480 10.4252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4434 10.7803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8731 11.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9934 11.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7695 10.5211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8224 10.7919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8694 10.5423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3768 11.3954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3240 11.1248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8835 11.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9385 10.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1518 10.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3657 11.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2770 11.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3973 11.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1668 9.8533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2197 10.1241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2667 9.8744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7741 10.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7213 10.4569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2808 10.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3358 9.6969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5492 10.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2446 10.4219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6743 10.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7946 11.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2025 9.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5316 9.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7734 9.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5707 10.1627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6236 10.4335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6706 10.1838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1780 11.0369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1252 10.7663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6847 11.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7397 10.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9530 10.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1669 11.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0782 11.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1985 11.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 10.4799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3477 9.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9896 8.9551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0099 9.0579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7855 9.6652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3209 9.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7616 9.7156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4122 8.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1439 10.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3437 10.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2213 10.0063 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2302 9.1509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4076 8.9163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6408 8.1897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8102 9.1506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4121 8.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6815 9.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2554 8.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9285 7.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6329 9.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7197 9.9631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7286 9.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9060 8.8731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1393 8.1465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3087 9.1074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9105 8.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1799 9.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7538 8.2802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4270 7.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1313 9.3421 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 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 86 90 1 0 0 0 0 101102 1 1 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 101110 1 0 0 0 0 85101 1 0 0 0 0 111112 1 1 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 111120 1 0 0 0 0 72111 1 0 0 0 0 M END > LMISSP0505CY02 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C80H144N2O36 > 1708.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261557 > - > - > Active (generated by computational methods) > - $$$$