Accord 08271317192D 86 89 0 0 0 0 0 0 0 0999 V2000 19.8003 7.6855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0889 8.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3773 7.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2116 6.9739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3891 6.9739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.5120 8.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6438 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6438 5.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9323 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4762 8.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6923 8.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2156 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4984 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7813 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0641 6.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3470 6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6598 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9427 7.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2255 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5084 7.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7911 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0742 7.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3569 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6397 7.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3470 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6397 6.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8539 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0682 6.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2824 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4965 6.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 6.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5681 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7892 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0103 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2314 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4524 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6735 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8946 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1157 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3368 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5578 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7789 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5479 10.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8578 10.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0232 10.8353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0723 10.8030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7898 11.7114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6244 11.2549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2637 11.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0417 10.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4372 11.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2259 11.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5754 11.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8212 11.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5358 11.4354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7012 11.8922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7504 11.8598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4678 12.7683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3025 12.3118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9418 12.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7197 11.4650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1152 12.1937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5755 13.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2535 12.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4992 12.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3559 12.4679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4957 12.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9631 11.2728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0620 11.5783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9220 11.9853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4403 11.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8523 11.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3197 10.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7005 11.9741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4549 12.7736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5933 12.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2280 11.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5126 10.6992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8397 10.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3767 9.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2203 10.2401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9894 9.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7743 11.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8927 9.6310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8931 10.7196 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 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 63 67 1 0 0 0 0 78 79 1 1 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 86 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 78 86 1 0 0 0 0 73 78 1 0 0 0 0 6 44 1 0 0 0 0 M END > LMISSP0506AA03 > > Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C62H115NO21 > 1209.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261854 > - > - > Active (generated by computational methods) > - $$$$