Accord 08271317192D 77 79 0 0 0 0 0 0 0 0999 V2000 19.5117 7.6379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8142 8.0395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1164 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9151 6.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1084 6.9402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.2096 8.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3777 5.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6801 6.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1939 8.6973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4253 8.7127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9773 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2742 6.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5710 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8678 6.9309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1648 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4129 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7098 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0066 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3034 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6002 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8972 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1939 8.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 7.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1648 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 6.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7203 6.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9498 6.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1793 6.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 6.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6384 6.5026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4010 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6373 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8736 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1098 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3461 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5824 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8186 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0549 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5275 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7637 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2144 10.1924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5764 9.9470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6798 10.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7777 9.9670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3113 10.7746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2080 10.5184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7910 10.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7897 9.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0984 10.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8101 10.4852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1102 10.7547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2774 11.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1721 10.2399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2755 10.4962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3733 10.2599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9070 11.0675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8036 10.8113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3867 11.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2872 11.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 10.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4057 10.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7059 11.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7048 11.3786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9088 10.5401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1743 9.9654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8353 9.0967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9078 9.1940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6421 9.7689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2023 9.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4674 10.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 8.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8473 8.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9813 10.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1250 10.0224 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 63 67 1 0 0 0 0 M END > LMSP0507AA03 > > Manalpha1-3Manbeta1-4Glcbeta-Cer(d18:1/20:0) > C56H105NO18 > 1079.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Manalpha1-3Manbeta1-4Glc- (Mollu series) [SP0507] > - > > - > - > - > - > - > - > - > - > - > 44261942 > - > - > Active (generated by computational methods) > - $$$$