Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 24.2922 7.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5897 7.5713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8870 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6982 6.4644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8860 6.4644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9950 7.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1501 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1501 5.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4477 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9722 8.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1982 8.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7400 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0318 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3238 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6156 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9076 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1995 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4914 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7833 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0753 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3671 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6590 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9509 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2428 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5348 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1186 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4104 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7024 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9943 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2862 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5781 6.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1786 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4705 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7623 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0543 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3462 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6381 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9300 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2220 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5138 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8058 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0976 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3895 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6815 7.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9733 7.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3572 9.4930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4539 9.7513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5450 9.5132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0752 10.3268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9785 10.0687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5585 10.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5646 9.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8606 9.6966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5702 10.0353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8875 10.3068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0484 10.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9274 9.7881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0240 10.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1152 9.8083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6454 10.6219 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5487 10.3638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1286 10.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1348 9.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4308 9.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6348 11.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4577 10.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6186 10.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1403 11.8434 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2370 12.1017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3281 11.8635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8583 12.6772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7616 12.4191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3416 12.6617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3477 11.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6437 12.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8477 13.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6706 12.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8315 12.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7043 11.2064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8009 11.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8920 11.2266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4222 12.0403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3256 11.7822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9055 12.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9117 11.0573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2076 11.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4116 12.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2345 12.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3955 12.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 10.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0984 10.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3753 10.8590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 10.5695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3649 10.8278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4560 10.5897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9862 11.4033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8895 11.1452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4694 11.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4756 10.4204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 10.7731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9756 11.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7985 11.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 11.7168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 10.8720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2405 10.2930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8989 9.4177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9645 9.5158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7043 10.0950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2612 9.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 10.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3482 8.9719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 9.8184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0461 10.9703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 10.4875 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 2 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 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 3 34 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0502BF07 > > Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O33 > 1660.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260418 > - > - > Active (generated by computational methods) > - $$$$