Accord 08271317192D 134141 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6848 7.8401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0294 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9612 6.8076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 6.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 5.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6196 6.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0415 8.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3195 8.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9596 6.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2991 6.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6386 6.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9782 6.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3178 6.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3687 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7082 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0478 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3873 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7268 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0665 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4060 7.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7455 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3178 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7455 6.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0218 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2982 6.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5745 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8508 6.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1272 6.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6005 5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8832 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1658 5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4485 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7312 5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0138 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2965 5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8618 5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1445 5.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4008 9.6317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5586 9.8725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7113 9.6505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2733 10.4090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1154 10.1684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7238 10.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6619 9.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0732 9.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8025 10.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9629 10.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1806 10.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2032 9.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3611 10.1476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5137 9.9256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0757 10.6841 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9179 10.4435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5263 10.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4643 9.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8757 10.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0659 11.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7653 10.6654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9831 10.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9999 9.3130 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1577 9.5538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3104 9.3318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8724 10.0903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7146 9.8497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3229 10.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2610 9.1740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6723 9.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4016 9.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5620 10.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7797 10.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1424 8.9891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4350 8.7795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7609 8.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8023 9.5881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9602 9.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1129 9.6069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6749 10.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5170 10.1248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1254 10.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0634 9.4491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4748 9.7779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 10.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3644 10.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5822 10.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 8.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7568 9.2351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9095 9.0131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4715 9.7716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3137 9.5310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9220 9.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8601 8.8553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2715 9.1841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0007 9.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1611 9.7529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3789 10.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7415 8.6704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0341 8.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 8.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4015 9.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5593 9.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7120 9.2882 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2740 10.0467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1161 9.8061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7245 10.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 9.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 9.4592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2641 10.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9636 10.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1813 10.3390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2016 9.1304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8212 8.4717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0854 8.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1698 8.4553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7344 9.1141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2457 8.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3753 8.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 8.2796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1698 7.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4702 8.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5339 9.0919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5419 8.3313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8104 8.1227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1287 7.4766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2793 8.3311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9253 7.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9432 8.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 7.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 7.0441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 8.5398 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 106105 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 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 97125 1 0 0 0 0 M END > LMSP0505AZ02 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C88H157N3O41 > 1912.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261173 > - > - > Active (generated by computational methods) > - $$$$