Accord 08271317192D 104108 0 0 0 0 0 0 0 0999 V2000 22.1262 7.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4057 8.1315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6849 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5428 6.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7096 6.9960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8471 8.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9548 6.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9548 5.7367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2342 6.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7979 8.8110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0040 8.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5083 6.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7819 6.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0556 6.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3293 6.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6030 6.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9582 8.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2319 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5056 8.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7792 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0528 8.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3266 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6002 8.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 7.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6030 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8739 7.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0780 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2822 7.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4863 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6904 7.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8946 6.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8141 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0252 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2363 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4474 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6585 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8696 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0807 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2918 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5029 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9251 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1363 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3474 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 5.7029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8521 10.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1930 10.1018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2669 10.3667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3350 10.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8533 10.9567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7795 10.6921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3488 10.9408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3804 9.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6333 10.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3355 10.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7114 10.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8512 11.2781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6765 10.4044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7503 10.6692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8185 10.4251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3368 11.2593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2630 10.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8323 11.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8639 10.2515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1168 10.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3259 11.8019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1949 11.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3346 11.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1536 9.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2274 10.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2956 9.7720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8139 10.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7400 10.3416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3093 10.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3410 9.5985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 9.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 10.3074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6720 10.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8117 10.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2106 9.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5324 9.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7910 9.3952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6371 10.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7109 10.3187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7790 10.0746 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2973 10.9088 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2235 10.6442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7928 10.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8244 9.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0773 10.2626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2865 11.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1555 10.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2952 11.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 9.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1880 9.6657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2561 9.4215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7744 10.2557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7006 9.9911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2699 10.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3015 9.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 10.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6325 10.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 10.5771 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 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 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 90 94 1 0 0 0 0 M END > LMSP0505BJ04 > > Galbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261255 > - > - > Active (generated by computational methods) > - $$$$