Accord 08271317192D 118123 0 0 0 0 0 0 0 0999 V2000 24.2910 7.6478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5872 8.0530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8831 7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6979 6.9439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8841 6.9439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1468 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1468 5.7138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4429 6.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9703 8.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1948 8.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7338 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0243 6.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3148 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6054 6.9345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8960 6.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1733 8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4638 7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7544 8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0449 7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3353 8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6260 7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9164 8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2069 7.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8960 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2069 6.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4295 6.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6522 6.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8747 6.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0973 6.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3200 6.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3548 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5842 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0430 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2724 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5018 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7312 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9606 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1900 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4194 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6488 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8782 5.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1076 5.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3563 9.9776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4516 10.2363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5413 9.9978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0708 10.8127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9755 10.5542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5548 10.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5625 9.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8559 10.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5651 10.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8859 10.7926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0455 11.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9213 10.2732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0166 10.5318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1064 10.2934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6359 11.1082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5406 10.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1199 11.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1276 10.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4210 10.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6253 11.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4509 11.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6106 11.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4802 9.6353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5755 9.8940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6652 9.6555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1947 10.4703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0994 10.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6787 10.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6864 9.4859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9798 9.8392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6889 10.1784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0097 10.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1694 10.7843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5590 9.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8734 9.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1492 9.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 9.9308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1405 10.1895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2303 9.9510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7598 10.7659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6645 10.5074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2438 10.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2514 9.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5449 10.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7492 11.2959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5748 10.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7345 11.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7526 10.2337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0115 9.6539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6694 8.7773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7337 8.8756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4745 9.4556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0308 9.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4069 9.5038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1179 8.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6725 8.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8168 10.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0525 9.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 9.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8595 9.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2518 8.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 8.0472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1241 8.3059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2139 8.0674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7434 8.8823 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6481 8.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2274 8.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 7.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 8.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 9.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5584 8.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 9.1962 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 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 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 102108 1 0 0 0 0 M END > LMSP0505CF04 > > Galbeta1-4GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261431 > - > - > Active (generated by computational methods) > - $$$$