LMPR0104080007 LIPID_MAPS_STRUCTURE_DATABASE 22 24 0 0 0 0 0 0 0 0999 V2000 7.1435 7.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8579 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0001 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 6.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 6.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4290 7.0625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7145 5.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 8.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 8.3000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4291 7.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 5.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1435 6.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 9.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3694 8.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7819 7.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 6 0 0 0 2 1 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 7 2 2 0 0 0 0 6 7 1 0 0 0 0 8 6 1 0 0 0 0 8 16 1 6 0 0 0 9 8 1 0 0 0 0 9 3 1 0 0 0 0 1 9 1 0 0 0 0 9 15 1 1 0 0 0 8 10 1 0 0 0 0 5 10 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 13 14 1 0 0 0 0 14 20 1 1 0 0 0 14 21 1 6 0 0 0 21 22 2 0 0 0 0 M END > LMPR0104080007 > isopimara-7,15-diene > (13S)-pimara-7,15-diene > C20H32 > 272.25 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Pimarane diterpenoids [PR010408] > > VCOVNILQQQZROK-QGZVKYPTSA-N > InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17-,19-,20+/m0/s1 > [C@]12([C@@]3(C)CCCC(C)(C)[C@]3([H])CC=C1C[C@](C=C)(C)CC2)[H] > C18211 > - > 52280 > - > - > - > 13969536 > - > - > - > - > - > - > - $$$$