Accord 08271317182D 81 83 0 0 0 0 0 0 0 0999 V2000 22.7995 7.2195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0818 7.6327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3639 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2144 6.5018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3846 6.5018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5175 7.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6327 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6327 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9150 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4726 8.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6818 8.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1921 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4686 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7452 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0217 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2984 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5749 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8514 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1280 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4046 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6812 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9577 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2343 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0640 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6172 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8937 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4468 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7235 6.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6402 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9167 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1933 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4699 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7464 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0230 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2996 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5762 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8527 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1293 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4059 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6824 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9590 7.6326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2355 7.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5231 9.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8661 9.5972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9428 9.8612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0139 9.6179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5337 10.4495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4570 10.1857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0276 10.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0560 9.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3144 9.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0175 10.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3860 10.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5284 10.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3605 9.8988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4373 10.1628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5083 9.9195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0281 10.7511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9514 10.4873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5220 10.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5505 9.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8088 10.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0173 11.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8805 10.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0229 11.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5119 11.9995 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5886 12.2635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6597 12.0201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1795 12.8518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1028 12.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6734 12.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7018 11.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9602 12.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 13.3927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0318 12.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1742 13.1722 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 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 M END > LMISSP0502AA05 > > Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C60H113NO18 > 1135.80 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260168 > - > - > Active (generated by computational methods) > - $$$$