Accord 08271317182D 113118 0 0 0 0 0 0 0 0999 V2000 21.8151 7.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0770 7.7002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3388 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2416 6.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3884 6.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5534 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6153 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6153 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8774 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4789 8.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6658 8.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1338 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3899 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6461 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9021 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1583 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4144 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6705 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9266 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1828 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4388 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6949 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9511 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2071 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4633 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7194 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9755 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2316 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7438 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5947 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8507 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1068 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3630 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6190 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8752 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1313 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3874 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6435 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8997 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1557 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4118 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6680 7.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9240 7.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5587 9.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8834 9.7190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9344 9.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9796 9.7402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4860 10.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4350 10.3238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9937 10.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0508 9.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2606 9.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9555 10.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3900 10.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5085 10.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2802 10.0290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3312 10.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3764 10.0502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8828 10.9050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8318 10.6338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3905 10.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4475 9.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6574 10.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8717 11.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7867 10.8839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9053 11.2343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6704 9.3599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7214 9.6312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7666 9.3811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2730 10.2358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2220 9.9647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7807 10.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8378 9.2032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0476 9.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7425 9.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1770 10.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 10.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 8.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 8.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2743 8.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0607 8.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1117 8.9621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1568 8.7119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6633 9.5667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6123 9.2956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1710 9.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2280 8.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4378 8.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6522 10.1227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5672 9.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6857 9.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7086 8.5341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2799 7.7918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4508 8.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4190 7.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0552 8.5158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5045 8.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9043 7.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0172 7.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 7.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8844 8.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 10.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4762 10.0283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8731 10.6374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8651 10.9597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7906 11.2749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2415 11.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0989 9.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 10.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5768 10.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3938 10.6659 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 94103 1 0 0 0 0 89 94 1 0 0 0 0 104105 1 1 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 104113 1 0 0 0 0 77104 1 0 0 0 0 M END > LMISSP0504AI04 > > Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C78H142N2O31 > 1602.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260679 > - > - > Active (generated by computational methods) > - $$$$