LMST01080003 LIPID_MAPS_STRUCTURE_DATABASE 89 99 0 0 0 999 V2000 11.4393 -3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0901 -3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0901 -2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2064 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3229 -2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2064 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9737 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9737 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7406 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8571 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3229 -1.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0687 -1.4213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1870 -2.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6243 -0.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8571 0.9129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6146 0.9022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 -3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3229 -3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2064 -3.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0901 -0.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6723 -3.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2673 1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4393 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9615 0.1347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9615 -2.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3342 -3.8697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5558 -2.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7406 -1.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6723 -1.6381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6243 -2.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2254 1.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5815 1.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4071 1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3556 1.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7890 1.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9706 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -5.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 -5.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 -3.6883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2384 -2.8393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 -2.1705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7296 -3.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2411 -4.5336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2610 -4.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7743 -3.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -2.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7765 -1.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4072 -5.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5224 -4.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6103 -2.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -1.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8586 -3.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 -4.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2182 -3.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 -2.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 -2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4252 -1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -6.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -8.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -8.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4427 -6.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1287 -8.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 -6.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -6.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7568 -7.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6053 -8.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 -7.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2969 -7.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 -7.0529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 -8.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -9.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 -9.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3261 -11.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -8.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -8.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 -8.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 -9.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2355 -9.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2436 -10.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0104 -2.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -5.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7885 -5.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2777 -3.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2995 -3.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5478 -4.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8517 -5.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 -4.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -3.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3588 -3.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23 27 1 0 0 0 0 27 17 1 0 0 0 0 17 1 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 6 20 1 0 0 0 0 20 7 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 28 9 1 0 0 0 0 9 10 1 0 0 0 0 23 5 1 0 0 0 0 18 5 1 0 0 0 0 4 5 1 0 0 0 0 3 8 1 0 0 0 0 7 10 1 0 0 0 0 5 11 1 1 0 0 0 3 12 1 1 0 0 0 4 13 1 6 0 0 0 9 14 1 1 0 0 0 10 15 1 1 0 0 0 15 22 1 6 0 0 0 15 16 1 0 0 0 0 16 14 1 0 0 0 0 17 21 1 1 0 0 0 7 24 1 1 0 0 0 8 25 1 6 0 0 0 18 26 1 6 0 0 0 27 29 1 6 0 0 0 28 30 1 1 0 0 0 16 35 1 0 0 0 0 35 36 1 0 0 0 0 32 33 1 0 0 0 0 33 31 1 0 0 0 0 32 34 1 6 0 0 0 32 36 1 0 0 0 0 16 31 1 6 0 0 0 41 47 1 0 0 0 46 40 1 0 0 0 40 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 43 37 1 6 0 0 44 38 1 1 0 0 45 39 1 1 0 0 51 57 1 0 0 0 56 50 1 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 52 39 1 1 0 0 53 48 1 6 0 0 54 49 1 1 0 0 62 68 1 0 0 0 67 61 1 0 0 0 61 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 6 0 0 64 58 1 1 0 0 65 59 1 6 0 0 66 60 1 6 0 0 73 79 1 0 0 0 78 72 1 0 0 0 72 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 6 0 0 74 59 1 6 0 0 75 69 1 1 0 0 76 70 1 6 0 0 77 71 1 1 0 0 42 21 1 1 0 0 63 48 1 6 0 0 55 80 1 6 0 0 89 84 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 86 81 1 6 0 0 87 82 1 1 0 0 88 83 1 6 0 0 85 49 1 1 0 0 M END > LMST01080003 > Digitonin > (25R)-2alpha,15beta-dihydroxy-5alpha-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside > C56H92O29 > 1228.57 > Sterol Lipids [ST] > Sterols [ST01] > Spirostanols and derivatives [ST0108] > - > Digitin; 3-O-(Glcb1-3Galb1-2-(Xylb1-3)-Glcb1-4Galb)-(25R)-5alpha-spirostan-2alpha,3beta,15beta-triol > UVYVLBIGDKGWPX-KUAJCENISA-N > InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1 > C1[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(OC[C@@H](CC6)C)O[C@H]5[C@@H](O)[C@@]4([H])[C@]3([H])CC2)C)C[C@@H](O)[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](CO)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](O)[C@@H](CO)O2)[C@@H](CO)O1 > - > - > 27729 > - > - > - > 6474107 > - > - > - > - > - > 4164 > - $$$$