LMST01010609 LIPID_MAPS_STRUCTURE_DATABASE 45 50 0 0 0 999 V2000 5.7441 -4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -4.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -5.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 -6.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 -5.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8827 -4.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -4.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -4.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3282 -5.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -6.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 -3.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3281 -2.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 -3.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 -4.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9124 -3.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9125 -4.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 -5.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -7.4101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -3.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 -6.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0213 -4.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 -2.4368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1896 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7737 -1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6351 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4965 -1.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3579 -1.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4965 -2.9339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -0.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9123 -0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2090 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2144 0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6297 -0.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 -0.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6837 0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6297 1.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 1.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 0.9334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5305 -2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4669 -5.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6054 -6.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2239 -1.9419 0.0000 O 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 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 14 17 1 0 0 0 14 18 1 6 0 0 10 19 2 0 0 0 2 20 1 1 0 0 5 21 1 1 0 0 6 22 1 1 0 0 13 23 1 1 0 0 15 24 1 0 0 0 24 25 1 6 0 0 24 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 1 6 0 0 24 32 1 0 0 0 26 33 1 6 0 0 33 34 1 0 0 0 32 34 1 0 0 0 34 35 1 6 0 0 35 36 2 0 0 0 36 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 39 35 1 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 15 42 1 6 0 0 7 43 1 6 0 0 3 44 1 1 0 0 30 45 1 0 0 0 M END > LMST01010609 > Niuxixinsterone C > (20R,22R,25R)-20-O,22-O-(5'-hydroxymethyl)-furfurylidene-2beta,3beta,5beta,14alpha,26-pentahydroxy-cholest-7-en-6-one > C33H48O9 > 588.33 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > > OMCKEPCVIFFIFM-DVYRRINYSA-N > InChI=1S/C33H48O9/c1-18(16-34)5-8-28-32(4,42-29(41-28)26-7-6-19(17-35)40-26)27-10-12-33(39)21-13-23(36)22-14-24(37)25(38)15-30(22,2)20(21)9-11-31(27,33)3/h6-7,13,18,20,22,24-25,27-29,34-35,37-39H,5,8-12,14-17H2,1-4H3/t18-,20+,22+,24-,25+,27+,28-,29-,30-,31-,32-,33-/m1/s1 > C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@]4(O)CC[C@]([H])([C@]5(O[C@H](C6OC(CO)=CC=6)O[C@@H]5CC[C@@H](C)CO)C)[C@@]4(C)CC[C@]3([H])[C@@]12C > - > - > - > ST 33:6;O9 > - > - > 171117809 > - > - > - > - > - > 384659 > 21769064 $$$$