LMST01031347 LIPID_MAPS_STRUCTURE_DATABASE 46 51 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 14.3579 -2.4366 0.0000 O 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 12.6351 -0.4473 0.0000 C 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 0 0 0 29 32 1 0 0 0 24 33 1 0 0 0 26 34 1 6 0 0 34 35 1 0 0 0 33 35 1 0 0 0 35 36 1 6 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 40 1 0 0 0 40 36 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 15 43 1 6 0 0 7 44 1 6 0 0 3 45 1 1 0 0 28 46 1 6 0 0 M END > LMST01031347 > Niuxixinsterone A > (20R,22R,24S)-20-O,22-O-(5beta-hydroxymethyl)-furfurylidene-2beta,3beta,14alpha,25-tetrahydroxy-5beta-ergost-7-en-6-one > C34H50O9 > 602.35 > Sterol Lipids [ST] > Sterols [ST01] > Ergosterols and C24-methyl derivatives [ST0103] > - > > KPCQTDWWMAPJKX-BBEXEBBRSA-N > InChI=1S/C34H50O9/c1-18(30(2,3)39)13-28-33(6,43-29(42-28)26-8-7-19(17-35)41-26)27-10-12-34(40)21-14-23(36)22-15-24(37)25(38)16-31(22,4)20(21)9-11-32(27,34)5/h7-8,14,18,20,22,24-25,27-29,35,37-40H,9-13,15-17H2,1-6H3/t18-,20-,22-,24+,25-,27-,28+,29+,31+,32+,33+,34+/m0/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]5C[C@H](C)C(O)(C)C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C > - > - > - > ST 34:6;O9 > - > - > 171117819 > - > - > - > - > - > 384659 > 21769064 $$$$