LMST01010431 LIPID_MAPS_STRUCTURE_DATABASE 43 46 0 0 0 999 V2000 8.4530 9.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 8.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 7.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 7.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3131 7.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 7.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 7.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 8.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 9.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3131 8.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 10.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9992 10.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 10.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 9.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5109 9.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5109 10.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 10.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 11.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3131 9.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 11.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3712 11.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2313 12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0571 11.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0571 10.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9173 12.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 8.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5109 11.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 9.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8250 8.2873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6851 12.7605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 13.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0915 12.7260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3131 6.8423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4114 13.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4114 14.7421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2774 13.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1548 13.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0090 13.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1778 14.7217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 13 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 1 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 8 14 1 0 0 0 0 14 33 1 6 0 0 0 10 9 1 0 0 0 0 8 9 1 0 0 0 0 9 28 1 6 0 0 0 11 9 1 0 0 0 0 7 8 2 0 0 0 0 5 10 1 0 0 0 0 10 19 1 1 0 0 0 1 10 1 0 0 0 0 16 17 1 0 0 0 0 20 17 1 0 0 0 0 17 29 1 6 0 0 0 11 12 1 0 0 0 0 16 15 1 0 0 0 0 6 7 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 0 0 0 0 5 37 1 1 0 0 0 30 6 2 0 0 0 0 22 20 1 0 0 0 0 20 21 1 6 0 0 0 34 20 1 0 0 0 0 2 1 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 22 35 1 6 0 0 0 3 4 1 0 0 0 0 25 24 1 0 0 0 0 27 25 1 0 0 0 0 26 25 1 0 0 0 0 36 25 1 0 0 0 0 3 2 1 0 0 0 0 2 31 1 1 0 0 0 3 32 1 1 0 0 0 35 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 41 43 1 6 0 0 M END > LMST01010431 > Venustone > 22-O-[(3R)-3-hydroxybutanoyl]-2beta,3beta,14alpha,20,22R,25-hexahydroxy-5beta-cholest-7-en-6-one > C31H50O9 > 566.35 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > 22-O-[(3R)-3-hydroxybutanoyl]-20-hydroxyecdysone > FCKMDUFNBYPSNI-RTYUKWHMSA-N > InChI=1S/C31H50O9/c1-17(32)13-26(36)40-25(9-10-27(2,3)37)30(6,38)24-8-12-31(39)19-14-21(33)20-15-22(34)23(35)16-28(20,4)18(19)7-11-29(24,31)5/h14,17-18,20,22-25,32,34-35,37-39H,7-13,15-16H2,1-6H3/t17-,18+,20+,22-,23+,24+,25-,28-,29-,30-,31-/m1/s1 > C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](OC(C[C@H](O)C)=O)CCC(O)(C)C)C)([H])[C@]21C > - > - > - > ST 31:3;O9 > - > - > 162901339 > - > - > - > - > - > 265172 > - $$$$