LMST01150015 LIPID_MAPS_STRUCTURE_DATABASE 78 87 0 0 0 0 0 0 0 0999 V2000 13.3985 6.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6855 6.4825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9723 6.0708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6854 7.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2592 6.4826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9723 7.7178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2592 7.3061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9723 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5461 6.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 7.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 8.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8046 9.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5462 8.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8330 8.9529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2594 8.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8331 9.7764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2594 9.7762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5463 10.1881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1200 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 10.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5463 11.0115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9725 10.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9725 11.0114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1201 11.0117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4070 11.4233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8332 11.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4070 12.2467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8333 12.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1202 12.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6939 11.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 12.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1203 13.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4068 8.1295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4068 7.3061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6937 8.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 6.8945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9806 8.1296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9806 7.3062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1199 6.8944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 6.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 6.8945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2674 8.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9640 8.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2510 8.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9640 6.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2510 6.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8247 6.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1116 7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8247 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4602 7.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9640 7.3060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9640 8.1294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2510 7.7177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2510 6.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6771 7.7177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6771 6.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4602 8.7955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4602 9.6189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9443 9.4617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9443 10.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5378 7.3060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5378 8.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4405 8.7955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.1536 9.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1536 10.0307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4404 10.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7274 10.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7274 9.2072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8666 10.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7274 8.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6771 8.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6771 9.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1116 6.4825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5378 6.4825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5378 5.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9443 8.1294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9443 7.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 7 1 0 0 0 0 2 1 1 1 0 0 0 3 8 1 6 0 0 0 5 9 1 1 0 0 0 7 10 1 1 0 0 0 6 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 10 1 1 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 24 20 1 1 0 0 0 25 30 1 6 0 0 0 27 31 1 1 0 0 0 29 32 1 6 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 38 1 0 0 0 0 33 19 1 1 0 0 0 34 39 1 6 0 0 0 36 40 1 1 0 0 0 38 41 1 6 0 0 0 37 42 1 1 0 0 0 43 42 1 0 0 0 0 44 45 1 0 0 0 0 72 44 1 0 0 0 0 54 45 1 0 0 0 0 52 46 1 0 0 0 0 46 47 1 0 0 0 0 47 75 1 0 0 0 0 75 48 1 0 0 0 0 48 74 1 0 0 0 0 50 49 1 0 0 0 0 49 74 1 0 0 0 0 62 50 1 0 0 0 0 77 51 1 0 0 0 0 56 51 1 0 0 0 0 52 54 1 0 0 0 0 56 52 1 0 0 0 0 52 53 1 1 0 0 0 54 62 1 0 0 0 0 54 55 1 6 0 0 0 72 56 1 0 0 0 0 56 57 1 6 0 0 0 58 72 1 0 0 0 0 58 77 1 0 0 0 0 60 58 1 0 0 0 0 58 59 1 6 0 0 0 69 60 1 0 0 0 0 60 61 1 6 0 0 0 62 75 1 0 0 0 0 62 63 1 1 0 0 0 64 65 1 0 0 0 0 69 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 70 1 6 0 0 0 67 68 1 0 0 0 0 69 68 1 6 0 0 0 69 71 1 0 0 0 0 77 71 1 0 0 0 0 72 73 1 1 0 0 0 74 1 1 1 0 0 0 75 76 1 6 0 0 0 77 78 1 6 0 0 0 M END > LMST01150015 > tomatine > (22S,25S)-5alpha-spirosolan-3beta-yl beta-D-glucopyranosyl-(1-2)-[beta-D-xylopyranosyl-(1-3)]-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside > C50H83NO21 > 1033.55 > Sterol Lipids [ST] > Sterols [ST01] > Solanidines and alkaloid derivatives [ST0115] > - > (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-xylopyranosyl)-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside; A''-Tomatidine; Tomatine; alpha-tomatine; lycopersicin > C10827 > - > - > 9630 > 16024 > - > - > - > - > 28523 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMST01150015 $$$$