LMST01010595 LIPID_MAPS_STRUCTURE_DATABASE 44 48 0 0 0 999 V2000 6.8962 7.4586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 12.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3353 12.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 11.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 10.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8184 11.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 8.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2428 9.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2472 11.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2472 10.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8177 10.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2136 9.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 7.1949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 8.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 7.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 8.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6662 7.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 6.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5402 10.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6662 9.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 7.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3185 11.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4401 7.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4229 10.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 8.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3056 8.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4315 9.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3229 8.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2123 13.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0401 11.9768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 12.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8491 12.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7626 12.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5716 12.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8673 11.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7287 11.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3114 13.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8242 14.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0010 14.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 6.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 7.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 8.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 7.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 7.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 1 0 0 0 4 3 1 6 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 6 0 0 0 8 7 1 6 0 0 0 10 9 1 1 0 0 0 12 11 1 0 0 0 0 5 11 1 0 0 0 0 8 12 1 0 0 0 0 10 8 1 0 0 0 0 5 10 1 0 0 0 0 16 15 1 0 0 0 0 17 15 1 0 0 0 0 20 16 1 0 0 0 0 21 13 1 1 0 0 0 21 17 1 0 0 0 0 23 21 1 0 0 0 0 23 18 2 0 0 0 0 24 22 1 0 0 0 0 25 19 1 1 0 0 0 25 20 1 0 0 0 0 25 21 1 0 0 0 0 10 22 1 0 0 0 0 26 23 1 0 0 0 0 27 14 1 6 0 0 0 27 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 2 0 0 0 0 28 27 1 0 0 0 0 28 8 1 0 0 0 0 2 29 1 6 0 0 30 2 1 0 0 0 4 31 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 31 37 1 0 0 0 29 37 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 1 44 1 0 0 0 43 40 1 6 0 0 43 41 1 0 0 0 44 42 2 0 0 0 44 43 1 0 0 0 M END > LMST01010595 > Superecdysone E > (20S,22R)-3beta-(2'R-hydroxypropionyl)-20,22-acetonide-14alpha,25-dihydroxy-5beta-cholest-7-en-6-one > C33H52O8 > 576.37 > Sterol Lipids [ST] > Sterols [ST01] > Cholesterol and derivatives [ST0101] > - > (20S,22R)-3beta-(2'R-hydroxypropionyl)-2-deoxy-20-hydroxyecdysone-20,22-acetonide > NODWAUACUKVCHA-VCWGSWMVSA-N > InChI=1S/C33H52O8/c1-19(34)27(36)39-20-9-14-30(6)21-10-15-31(7)25(11-16-33(31,38)22(21)18-24(35)23(30)17-20)32(8)26(12-13-28(2,3)37)40-29(4,5)41-32/h18-21,23,25-26,34,37-38H,9-17H2,1-8H3/t19-,20+,21+,23+,25+,26-,30-,31-,32-,33-/m1/s1 > O(C([C@@H](C)O)=O)[C@@H]1C[C@@]2([C@@]([C@@]3(C([C@]4([C@](CC3)([C@@](CC4)([H])[C@]3(OC(C)(C)O[C@@H]3CCC(O)(C)C)C)C)O)=CC2=O)[H])(CC1)C)[H] > - > - > - > ST 33:4;O8 > - > - > 171117802 > - > - > - > - > - > 288950 > 37178942 $$$$