LMPR0103540010 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.2222 7.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2222 6.5249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0707 6.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 6.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 7.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0707 7.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 7.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 7.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 6.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8692 8.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2931 9.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 9.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3612 8.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3157 6.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5685 9.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0707 8.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 7.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8658 5.5012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 6.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1197 5.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3943 8.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6166 6.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 5.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7996 4.5236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 10.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 11.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5545 10.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7969 9.8793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0682 11.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1453 12.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1692 11.2128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3472 11.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 11.3464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6262 11.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 11.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 12.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 11.6135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 10.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2493 10.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 10.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4775 9.9217 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 1 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 2 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 7 1 0 0 0 7 10 1 6 0 0 9 14 1 1 0 0 8 14 1 1 0 0 12 15 2 0 0 0 6 16 1 6 0 0 5 17 1 6 0 0 3 18 1 6 0 0 4 19 1 1 0 0 2 20 1 1 0 0 1 21 1 1 0 0 19 22 1 0 0 0 19 23 2 0 0 0 18 24 2 0 0 0 18 17 1 0 0 0 11 25 1 0 0 0 25 26 1 0 0 0 25 27 1 1 0 0 11 28 1 6 0 0 26 29 1 0 0 0 29 30 2 0 0 0 29 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 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 M END > LMPR0103540010 > epi-Austrobuxusin G > > C31H46O9 > 562.31 > Prenol Lipids [PR] > Isoprenoids [PR01] > C15 isoprenoids (sesquiterpenes) [PR0103] > Picrotoxane sesquiterpenoids [PR010354] > > FMFRGVZQZUZQFN-BHXSGCEGSA-N > InChI=1S/C31H46O9/c1-6-7-8-9-10-11-12-13-14-15-20(32)37-18(4)19-16-30(40-27(19)34)25-26(39-25)31(36)22-21(17(2)3)23(38-28(22)35)24(33)29(30,31)5/h18-19,21-26,33,36H,2,6-16H2,1,3-5H3/t18-,19+,21-,22+,23+,24+,25+,26-,29-,30+,31-/m0/s1 > [C@]12(C)[C@@]3(C[C@]([H])([C@H](C)OC(CCCCCCCCCCC)=O)C(=O)O3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(O[C@@H]([C@H]2O)[C@H]1C(=C)C)=O > - > - > - > - > - > - > 154585427 > - > - > - > - > - > 256808 > 33016067 $$$$