Accord 08271317192D 123129 0 0 0 0 0 0 0 0999 V2000 22.4307 7.8094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6831 8.2397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9353 7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8629 7.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9985 7.0617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1786 8.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2153 6.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2153 5.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4677 7.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0901 8.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2663 8.9613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7145 6.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9609 7.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2073 6.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4536 7.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7001 6.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1813 8.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4277 7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6741 8.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1668 8.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4134 7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6597 8.2396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9061 7.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7001 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9061 7.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0803 6.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2546 7.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4288 6.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6031 7.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7774 6.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8816 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0631 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4261 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6076 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7890 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9705 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3335 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5150 5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1838 10.5471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5000 10.2841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5391 10.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5722 10.3055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0725 11.1711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0334 10.8965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5865 11.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6569 10.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8442 10.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5352 10.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0003 11.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1078 11.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8515 10.5980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8905 10.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9237 10.6194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4239 11.4850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3848 11.2104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9380 11.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 10.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1956 10.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4126 12.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3518 11.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4592 11.8185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1963 9.9204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2353 10.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2685 9.9419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7687 10.8074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7297 10.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2828 10.7909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3532 9.7618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5404 10.1370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2315 10.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6966 10.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8040 11.1409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 9.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5518 9.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7826 9.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5477 10.2343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5868 10.5091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6199 10.2558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1202 11.1213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0811 10.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6342 11.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7046 10.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8919 10.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1089 11.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0481 11.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1555 11.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0503 10.5561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2632 9.9402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8998 9.0091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9059 9.1135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6928 9.7296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2214 9.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6831 9.7807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3140 8.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0564 10.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2446 10.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7742 9.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1640 9.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5184 9.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1786 10.0757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1877 9.2078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3531 8.9698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5752 8.2326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7470 9.2075 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3431 8.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6456 9.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1986 8.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 7.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5817 9.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6989 10.0318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7079 9.1640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8733 8.9259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0954 8.1887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2673 9.1637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8634 8.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1659 9.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 8.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3873 7.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1019 9.4018 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 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 104113 1 0 0 0 0 85104 1 0 0 0 0 114115 1 1 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 118123 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 114123 1 0 0 0 0 72114 1 0 0 0 0 M END > LMISSP0505BM02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O36 > 1749.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261277 > - > - > Active (generated by computational methods) > - $$$$