Accord 08271317192D 137144 0 0 0 0 0 0 0 0999 V2000 24.4117 7.1960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8277 7.5322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2435 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7494 6.6119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0740 6.6119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4622 6.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4622 5.5911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8782 6.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1456 8.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5021 8.0958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2898 6.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7011 6.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1124 6.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5237 6.6040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9350 6.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6545 7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0658 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4771 7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8884 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2996 7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7110 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1222 7.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5335 7.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9350 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5335 6.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8884 6.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2434 6.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5983 6.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9532 6.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3082 6.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2956 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6562 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0168 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3773 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7379 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0985 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4591 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8197 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1803 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5408 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9014 5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2620 5.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4658 9.1292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7152 9.3438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9599 9.1459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5695 9.8221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3201 9.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9711 9.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8072 9.0053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3911 9.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1498 9.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0755 9.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3782 10.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6156 9.3744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8649 9.5890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1096 9.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7192 10.0673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4699 9.8528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1208 10.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9570 9.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5409 9.5436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7104 10.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2253 10.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5280 10.3278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7602 8.8451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0095 9.0597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2542 8.8619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8638 9.5380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6145 9.3235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2654 9.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1016 8.7212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6855 9.0143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4441 9.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3699 9.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6726 9.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9959 8.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2567 8.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6558 8.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9100 9.0903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1593 9.3050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4040 9.1071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0136 9.7832 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7643 9.5687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4152 9.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2513 8.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8353 9.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0048 10.2230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5197 9.7665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8224 10.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0546 8.5610 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3039 8.7757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5486 8.5778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1582 9.2539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9089 9.0394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5598 9.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3959 8.4371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9799 8.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 9.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6643 9.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 9.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 8.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5511 8.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9502 8.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 8.8062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4537 9.0209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6984 8.8230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3080 9.4991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0587 9.2847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7096 9.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5457 8.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 8.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 9.9390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 9.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1168 9.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4722 9.0576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8573 8.5765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5735 7.8491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7970 7.9306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4117 8.4119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0435 8.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1854 8.4519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1158 7.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 8.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 9.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 8.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 8.6823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1419 8.0043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4899 7.8184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8822 7.2425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0165 8.0041 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7009 7.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4996 8.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3693 7.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1103 6.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6685 8.1901 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 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 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 119118 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 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 113117 1 0 0 0 0 128129 1 1 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 132137 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 128137 1 0 0 0 0 112128 1 0 0 0 0 M END > LMISSP0505AO03 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O42 > 1956.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261086 > - > - > Active (generated by computational methods) > - $$$$