LMST01160027 LIPID_MAPS_STRUCTURE_DATABASE 83 91 0 0 0 999 V2000 2.4916 0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 1.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1308 2.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4203 3.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8411 1.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 0.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 -0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 -0.5403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -0.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -2.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8948 -3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 -2.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -3.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -2.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -1.5427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 2.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 1.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4721 0.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 0.1512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 2.1925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 -1.8395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4218 -1.9686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2166 0.1207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 0.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2905 -0.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4242 1.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 -3.0515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -5.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 -6.0811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1615 -5.0547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3962 -3.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9248 -3.6771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5187 -3.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5259 -4.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4106 -5.0671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2824 -4.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2752 -3.5400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1473 -3.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4238 1.6603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7164 0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0085 -1.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 -0.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7844 -2.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0700 0.5434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0697 0.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -0.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 -1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3629 -1.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -2.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5868 -5.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1499 -6.9693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0455 -6.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6570 -3.9699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0364 -5.0373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7036 -4.3229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5347 -5.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3190 -5.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2667 -5.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4356 -4.6159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3836 -4.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 -4.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -6.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7627 -6.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -3.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4306 -5.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2801 -3.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7743 -4.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 -5.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 -4.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7743 -4.4991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 29 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 1 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 22 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 6 0 0 0 14 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 2 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 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 23 33 1 6 0 0 11 34 1 6 0 0 8 35 1 6 0 0 2 36 1 6 0 0 13 12 1 1 0 0 0 22 37 1 1 0 0 28 38 1 0 0 0 17 39 1 1 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 45 39 1 1 0 0 46 40 1 6 0 0 47 41 1 1 0 0 48 42 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 38 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 6 0 0 66 72 1 0 0 0 71 65 1 0 0 0 65 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 71 72 1 1 0 0 67 44 1 1 0 0 68 62 1 6 0 0 69 63 1 1 0 0 70 64 1 6 0 0 77 83 1 0 0 0 82 76 1 0 0 0 76 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 1 0 0 78 55 1 1 0 0 79 73 1 6 0 0 80 74 1 1 0 0 81 75 1 6 0 0 M END > LMST01160027 > Withanoside IX > 27-O-beta-D-glucopyranosyl (1-6)-beta-D-glucopyranosylpubesenolide 3-O-beta-D-glucopyranosyl (1-6)-beta-D-glucopyranoside > C52H82O25 > 1106.51 > Sterol Lipids [ST] > Sterols [ST01] > Withanolides and derivatives [ST0116] > - > > - > - > - > - > - > - > - > - > - > 101168806 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMST01160027 $$$$