LMPR0103540006 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 7.2464 7.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2464 6.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 6.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 6.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9492 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 8.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7334 7.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3113 6.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8922 8.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3143 9.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 9.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 8.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3336 6.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 9.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0978 9.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 7.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8956 5.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8007 6.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1436 5.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1437 8.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6522 6.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8007 5.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8291 4.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6182 10.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9603 11.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 10.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8164 9.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9638 10.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8299 9.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6959 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5619 9.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4279 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2940 9.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1600 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0260 9.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8920 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7581 9.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6241 9.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4901 9.0046 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 16 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 > LMPR0103540006 > Austrobuxusin F > > C31H46O9 > 562.31 > Prenol Lipids [PR] > Isoprenoids [PR01] > C15 isoprenoids (sesquiterpenes) [PR0103] > Picrotoxane sesquiterpenoids [PR010354] > > DQJKVVGTJNBSOS-FNWZZRCQSA-N > InChI=1S/C31H46O9/c1-6-7-8-9-10-11-12-13-14-15-20(33)37-24-23-21(17(2)3)22(28(35)38-23)31(36)26-25(39-26)30(29(24,31)5)16-19(18(4)32)27(34)40-30/h18-19,21-26,32,36H,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)O)C(=O)O3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(O[C@@H]([C@H]2OC(CCCCCCCCCCC)=O)[C@H]1C(=C)C)=O > - > - > - > - > - > - > 154585420 > - > - > - > - > - > 256808 > 33016067 $$$$