LMST01070018 LIPID_MAPS_STRUCTURE_DATABASE 78 86 0 0 0 999 V2000 -0.5572 -6.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 -4.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -4.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -5.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -4.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -5.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2629 -4.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -4.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -5.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3854 -3.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 -6.5508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 -6.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -7.8984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5572 -7.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 -6.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 -7.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3526 -7.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 -5.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -6.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -3.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -4.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 -2.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 -3.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3226 -2.7020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1134 -3.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 -2.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6509 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9178 -7.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 -3.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 1.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 2.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7437 0.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -0.5983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9842 0.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 0.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5464 -1.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -1.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 2.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5718 -8.6062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2126 -7.6432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1969 -5.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 -6.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7370 -7.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5639 -7.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3857 -7.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3778 -6.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5507 -5.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5428 -4.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0925 -10.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4473 -11.7828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2766 -11.2763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1665 -9.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2468 -9.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0072 -10.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6872 -10.8624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6018 -10.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8414 -9.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6806 -9.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 -5.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8723 -2.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2624 -4.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5980 -3.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0916 -1.8115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8367 -2.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0286 -0.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0888 -3.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0091 -4.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6777 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4244 -2.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5040 -2.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2506 -1.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3362 -4.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 1 6 1 0 0 0 5 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 5 1 0 0 0 6 7 1 0 0 0 1 10 1 1 0 0 5 11 1 1 0 0 6 12 1 6 0 0 4 13 1 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 1 1 0 0 0 13 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 14 1 0 0 0 13 21 1 1 0 0 4 22 1 6 0 0 9 23 1 0 0 0 8 24 1 1 0 0 32 24 1 0 0 0 32 25 1 0 0 0 25 26 1 0 0 0 27 26 1 0 0 0 27 28 1 6 0 0 27 29 1 0 0 0 23 30 1 6 0 0 19 31 1 1 0 0 32 23 1 0 0 0 29 42 1 0 0 0 44 33 1 0 0 0 35 40 1 0 0 0 40 39 1 0 0 0 39 38 1 0 0 0 38 37 1 0 0 0 37 36 1 0 0 0 36 35 1 0 0 0 35 33 1 1 0 0 39 42 1 1 0 0 38 43 1 6 0 0 37 41 1 1 0 0 36 34 1 6 0 0 53 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 31 1 1 0 0 50 45 1 6 0 0 51 46 1 1 0 0 52 47 1 6 0 0 63 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 6 0 0 59 45 1 1 0 0 60 55 1 6 0 0 61 56 1 6 0 0 62 57 1 1 0 0 9 65 1 6 0 0 32 66 1 6 0 0 71 77 1 0 0 0 76 70 1 0 0 0 70 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 1 0 0 73 67 1 6 0 0 74 68 1 1 0 0 75 69 1 6 0 0 54 78 1 0 0 0 72 78 1 1 0 0 M END > LMST01070018 > Trillfurostanoside I > 26-O-beta-D-glucopyranosyl-(25R)-furost-5-en-3beta,17alpha,22alpha,26-tetrahydroxy-3-O-alpha-l-rhamnopyranosyl-(1-2)-[beta-D-glucopyranosyl-(1-6)]-O-beta-D-glucopyranoside > C51H84O24 > 1080.54 > Sterol Lipids [ST] > Sterols [ST01] > Furostanols and derivatives [ST0107] > - > 3-O-(Rhaa1-2)-(Glcb1-6)-Glcb)-26-O-(Glcb)-(25R)-furosta-3beta,5alpha,6beta,17alpha,22alpha,26-tetrol > OHPMCOUIYISHCB-KHPIDDNSSA-N > InChI=1S/C51H84O24/c1-20(18-67-44-40(62)37(59)33(55)28(16-52)71-44)8-13-50(65)22(3)51(66)31(75-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,51)5)70-47-43(74-46-42(64)36(58)32(54)21(2)69-46)39(61)35(57)30(73-47)19-68-45-41(63)38(60)34(56)29(17-53)72-45/h6,20-22,24-47,52-66H,7-19H2,1-5H3/t20-,21+,22-,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-/m1/s1 > [C@]12(CC=C3C[C@@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)O4)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]3(O)[C@@H]([C@@](O)(CC[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C)O[C@H]3C[C@@]21[H])C)[H] > - > - > - > - > - > - > 171121277 > - > - > - > - > - > 82502 > 32870000 $$$$