Accord 08271317182D 97100 0 0 0 0 0 0 0 0999 V2000 21.5311 8.9628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8048 9.3809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0781 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9511 8.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1112 8.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2579 9.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3502 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3502 6.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6239 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2002 10.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3998 10.0820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8921 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1598 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4277 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6955 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9633 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2311 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4989 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7667 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0344 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3023 8.2266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 7.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5795 6.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3125 6.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3219 5.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5918 5.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8576 5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1274 5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3931 5.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 5.6784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4643 5.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7343 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3456 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6135 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8812 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1490 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4168 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6847 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9524 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2203 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4881 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7559 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0236 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2914 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5593 9.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 8.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2634 11.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5985 11.3691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6641 11.6362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7240 11.3899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2380 12.2316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1724 11.9646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7379 12.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7787 11.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0161 11.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7157 11.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1127 12.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2448 12.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0508 11.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1164 11.9415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1763 11.6952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6903 12.5368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6247 12.2698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1902 12.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2310 11.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4684 11.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6794 13.0842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5649 12.5160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6970 12.8610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4966 11.0155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5622 11.2826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6221 11.0363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1362 11.8779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0705 11.6110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6360 11.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6768 10.8612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9142 11.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6138 11.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0108 11.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1429 12.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5453 10.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8699 10.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1220 10.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9425 10.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0081 10.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0680 10.3775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5820 11.2191 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5164 10.9521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0819 11.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 10.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3600 10.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 11.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4566 11.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5887 11.5434 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 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 3 36 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 M END > LMISSP0504AB06 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C70H130N2O23 > 1366.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260625 > - > - > Active (generated by computational methods) > - $$$$