LMST01010403 LIPID_MAPS_STRUCTURE_DATABASE 39 45 0 0 0 999 V2000 -3.4993 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4993 -2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -2.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -1.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2678 -0.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7497 0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 1.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -0.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -1.3293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1854 -2.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2446 1.9826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 1.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 1.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 0.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 0.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3047 -4.1946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2408 -2.3967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6661 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1981 -2.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7426 -3.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7554 -3.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2282 -2.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6836 -1.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1517 -0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3182 -4.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4239 1.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 6 0 0 15 16 1 0 0 0 16 17 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 8 20 1 1 0 0 9 21 1 6 0 0 3 22 1 1 0 0 17 23 1 0 0 0 23 24 1 6 0 0 24 25 1 0 0 0 25 16 1 0 0 0 14 26 1 0 0 0 26 27 1 0 0 0 27 23 1 0 0 0 16 28 1 6 0 0 36 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 1 0 0 32 22 1 1 0 0 34 29 1 1 0 0 35 30 1 1 0 0 29 38 1 0 0 0 17 39 1 6 0 0 M END > LMST01010403 > Pentalinonside > 14,16-14,21-15,20-triepoxy-14,15-secopregnan-5-en-3-ol 3-O-beta-d-diginopyranoside > C28H42O7 > 490.29 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > GIBDEJWEHLGSCL-XDPVSEIFSA-N > InChI=1S/C28H42O7/c1-15-25(29)20(30-4)12-23(33-15)34-17-7-9-26(2)16(11-17)5-6-19-18(26)8-10-27(3)24-21-14-32-28(19,27)35-22(24)13-31-21/h5,15,17-25,29H,6-14H2,1-4H3/t15-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26+,27-,28-/m1/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5([H])[C@H]6CO[C@]4([C@]3([H])CC=C2C[C@@H](O[C@H]2C[C@@H](OC)[C@@H](O)[C@@H](C)O2)C1)O[C@]5([H])CO6 > - > - > - > ST 22:3;O2;Hex > - > - > 71473350 > - > - > - > - > - > 1936448 > 22840389 $$$$