Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 24.2910 7.6475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5871 8.0526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8830 7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6979 6.9435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8840 6.9435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1466 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1466 5.7133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4428 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9703 8.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1947 8.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7336 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0241 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3146 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6050 6.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8956 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 8.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4636 7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7541 8.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0446 7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3350 8.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6256 7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9160 8.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2065 7.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8956 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2065 6.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4290 6.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6516 6.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8742 6.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0967 6.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3193 6.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1250 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3543 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5837 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8131 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0424 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2718 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5011 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7305 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9599 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1892 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4186 5.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 5.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3562 9.9774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4515 10.2361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5412 9.9976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0707 10.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9754 10.5540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5547 10.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5624 9.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8557 10.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5649 10.5205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8858 10.7924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0454 11.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9211 10.2729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0164 10.5316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1061 10.2932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6355 11.1081 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5403 10.8496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1195 11.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1273 10.1236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4206 10.4769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6249 11.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4507 11.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6103 11.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4797 9.6350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5750 9.8937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6647 9.6552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1942 10.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0989 10.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6782 10.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6859 9.4857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9792 9.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6883 10.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0093 10.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1689 10.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5585 9.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8729 9.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1487 9.2871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 9.9306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1398 10.1893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2296 9.9508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7590 10.7657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6638 10.5072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2430 10.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2508 9.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5441 10.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 11.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5741 10.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7338 11.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7518 10.2335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0106 9.6536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6686 8.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7327 8.8753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4736 9.4554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0298 9.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 9.5035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 8.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6716 8.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 10.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0516 9.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4918 9.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8587 9.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2509 8.9522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0278 8.0469 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1231 8.3056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2128 8.0671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7423 8.8820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6470 8.6235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2263 8.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2340 7.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 8.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7317 9.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5574 8.8619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7170 9.1960 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 M END > LMSP0505CF03 > > Galbeta1-4GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261430 > - > - > Active (generated by computational methods) > - $$$$