Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 24.3207 7.0782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6464 7.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9719 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9309 6.4040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2246 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2246 5.2256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5503 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0135 8.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2706 8.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8710 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1913 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5117 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8320 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1523 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4726 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7930 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1133 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4336 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7539 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0744 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3947 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7150 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0353 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3557 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9963 6.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3167 6.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2920 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6124 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9327 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2530 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5733 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8937 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2140 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5343 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8546 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1750 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4953 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8156 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1361 7.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4564 7.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.3106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 9.5585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6440 9.3300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1931 10.1108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0600 9.8632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6569 10.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6225 9.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9871 9.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7084 9.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 10.0916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1271 10.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0915 9.5938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2246 9.8417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3524 9.6132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9015 10.3940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7684 10.1463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3653 10.3791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3309 9.4507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6955 9.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8913 10.9020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6408 10.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8355 10.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7940 8.9826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9270 9.2304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0548 9.0019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6039 9.7828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4708 9.5351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0677 9.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0333 8.8394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3980 9.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1192 9.5030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3432 9.7635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5379 10.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9113 8.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2125 8.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5186 8.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4964 8.3713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6295 8.6192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7572 8.3906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3063 9.1715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1733 8.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7701 9.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 8.2282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1004 8.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2962 9.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0456 9.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2404 9.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1988 7.7600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3319 8.0079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4596 7.7794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0088 8.5602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8757 8.3125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4725 8.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4382 7.6169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8028 7.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5241 8.2805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7480 8.5410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9428 8.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3161 7.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6174 7.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 7.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9013 7.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0343 7.3966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1621 7.1681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7112 7.9490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5781 7.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1750 7.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 7.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5053 7.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 8.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4505 7.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6452 8.2498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0496 8.7550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3673 8.3706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8164 8.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8956 9.2215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7411 9.5095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2394 9.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9362 8.2119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 8.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6322 8.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2921 8.9531 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 3 30 2 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 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 74 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 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 100117 1 0 0 0 0 M END > LMISSP0504AM03 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260710 > - > - > Active (generated by computational methods) > - $$$$