Accord 08271317182D 98102 0 0 0 0 0 0 0 0999 V2000 21.7453 7.2619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0122 7.6841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2787 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1691 6.5287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3215 6.5287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4788 7.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5534 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5534 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8203 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4113 8.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6035 8.3916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0817 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3427 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6036 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8646 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1256 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3865 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6475 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9085 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1695 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4304 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6914 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9524 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2133 6.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4743 6.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5394 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8004 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0613 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3223 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5833 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8443 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1052 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3662 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6272 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8881 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4101 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6712 7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9321 7.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4836 9.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8131 9.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8708 9.9578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9226 9.7094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4325 10.5582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3749 10.2890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9367 10.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9863 9.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2087 9.9008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9057 10.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3231 10.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4478 10.8852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2352 9.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2928 10.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3447 10.0172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8546 10.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7969 10.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3587 10.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4083 9.8406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6307 10.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8435 11.4181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7452 10.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8699 11.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3277 12.1402 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3854 12.4097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4373 12.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9472 13.0101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8895 12.7408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4513 12.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5009 11.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7233 12.3526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9361 13.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8377 12.9891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9624 13.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7433 11.4758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8009 11.7453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8528 11.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3627 12.3456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3051 12.0764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8668 12.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9165 11.3202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1389 11.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3517 12.7636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 12.3247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3780 12.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7838 11.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1112 10.8788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3569 11.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1588 10.8114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2165 11.0808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2684 10.8324 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7783 11.6812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7206 11.4119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2824 11.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 10.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 12.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6688 11.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7935 12.0082 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 81 88 1 0 0 0 0 M END > LMISSP0502AE01 > > Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C66H120N2O28 > 1388.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260196 > - > - > Active (generated by computational methods) > - $$$$