LMPR0103540007 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.2366 7.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2366 6.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 6.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9371 6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9371 7.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 8.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 7.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7256 7.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3028 6.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8829 8.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3057 9.4034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 9.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3720 8.1183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 6.1318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5777 9.6772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 8.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8199 7.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8835 5.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7874 6.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1339 5.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4090 8.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6378 6.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7874 5.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8171 4.5327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6092 10.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9522 11.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5695 10.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8085 9.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 11.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1557 12.6617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 11.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 11.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 11.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 11.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 11.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 12.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 11.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 10.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 10.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6512 10.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 9.9425 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 1 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 > LMPR0103540007 > Austrobuxusin G > > C31H46O9 > 562.31 > Prenol Lipids [PR] > Isoprenoids [PR01] > C15 isoprenoids (sesquiterpenes) [PR0103] > Picrotoxane sesquiterpenoids [PR010354] > > FMFRGVZQZUZQFN-FNWZZRCQSA-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 > - > - > - > - > - > - > 154585428 > - > - > - > - > - > 256808 > 33016067 $$$$