LMPR0104330004 LIPID_MAPS_STRUCTURE_DATABASE 41 44 0 0 0 0 0 0 0 0999 V2000 10.1243 6.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 8.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2867 8.5489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5630 5.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8442 7.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5724 8.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7403 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8645 5.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 6.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 7.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6803 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 5.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3957 7.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5188 7.4225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7619 8.2109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2756 6.6342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1447 8.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4304 8.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 7.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 8.5489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7158 7.7240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4302 7.3114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0014 9.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 10.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4302 8.9613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4302 9.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1447 10.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7158 10.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2867 7.7239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2867 6.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0013 7.3114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0013 8.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0324 5.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 11.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 11.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1434 11.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2868 11.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 11.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 11.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 11.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5723 9.7865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31 21 1 0 0 0 0 21 20 1 0 0 0 0 21 18 1 0 0 0 0 31 29 1 0 0 0 0 31 1 1 0 0 0 0 20 2 1 0 0 0 0 29 14 1 0 0 0 0 29 3 1 0 0 0 0 1 4 2 0 0 0 0 2 23 1 1 0 0 0 14 16 1 0 0 0 0 14 5 1 0 0 0 0 3 6 1 6 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 16 9 1 0 0 0 0 5 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 10 13 1 0 0 0 0 20 18 1 0 0 0 0 3 2 1 0 0 0 0 16 7 1 0 0 0 0 9 10 1 0 0 0 0 14 15 1 6 0 0 0 16 33 1 6 0 0 0 18 17 1 0 0 0 0 18 19 1 0 0 0 0 20 25 1 6 0 0 0 21 22 1 6 0 0 0 23 24 1 0 0 0 0 37 24 1 0 0 0 0 24 41 2 0 0 0 0 25 26 1 0 0 0 0 26 28 2 0 0 0 0 26 27 1 0 0 0 0 29 30 1 6 0 0 0 31 32 1 1 0 0 0 37 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 M END > LMPR0104330004 > pedilstatin > (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2Z,4E)-octa-2,4-dienoate > C30H40O7 > 512.28 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Tigliane and ingenane diterpenoids [PR010433] > 12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate; 4-deoxy-4alpha-phorbol 13-acetate 12-(2Z,4E)-octa-2,4-dienoate > ALKHEZOKTHCOBM-GTBZSHDQSA-N > InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1 > C1=C(CO)C[C@@]2([H])C(C(C)=C[C@@]2([H])[C@@]2(O)[C@@H]([C@@H](OC(=O)/C=C\C=C\CCC)[C@@]3(OC(C)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O > C09143 > - > 743 > - > - > - > 643665 > - > - > - > - > - > - > - $$$$