LMPR0104230011 LIPID_MAPS_STRUCTURE_DATABASE 42 45 0 0 0 999 V2000 12.2762 10.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2762 9.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1526 8.9228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1526 10.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6731 8.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6978 8.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6188 8.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1704 9.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1297 10.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5083 11.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5332 11.6516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 11.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 10.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 9.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1526 7.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0826 12.1628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0296 11.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9537 8.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7215 7.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6973 7.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2516 7.9314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0559 6.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9320 6.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0807 10.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3993 8.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1914 7.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4110 9.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5887 13.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0826 13.9161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6011 13.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1472 9.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 12.4363 8.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6232 8.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7992 7.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6712 8.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1524 11.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2750 12.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2749 13.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3977 11.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7632 6.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 6.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3443 6.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 14 1 0 0 0 0 13 4 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 14 1 0 0 0 0 3 15 1 1 0 0 0 12 16 1 1 0 0 0 13 17 1 1 0 0 0 14 18 1 6 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 7 21 1 6 0 0 0 20 22 2 0 0 0 0 19 23 1 6 0 0 0 9 24 2 0 0 0 0 2 25 1 6 0 0 0 6 26 1 1 0 0 0 5 27 1 6 0 0 0 16 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 8 31 1 6 0 0 3 32 1 6 0 0 25 33 1 0 0 0 33 34 1 0 0 0 33 35 2 0 0 0 4 36 1 6 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 2 0 0 0 32 15 1 0 0 0 26 40 1 0 0 0 40 41 2 0 0 0 40 42 1 0 0 0 M END > LMPR0104230011 > Gemmacolide C > > C28H37O12Cl > 600.20 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Briarane diterpenoids [PR010423] > > MDILJZNWKHVGLR-CCCDGKERSA-N > InChI=1S/C28H37ClO12/c1-12-8-9-18(37-14(3)30)26(7)19(38-15(4)31)10-20(39-16(5)32)27(11-36-27)22(26)24(40-17(6)33)28(35)13(2)25(34)41-23(28)21(12)29/h13,18-24,35H,1,8-11H2,2-7H3/t13-,18-,19-,20+,21-,22+,23-,24-,26-,27+,28-/m0/s1 > C1[C@H](OC(=O)C)[C@@]2(C)[C@@]([H])([C@H](OC(C)=O)[C@]3(O)[C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C(=C)CC[C@@H]2OC(=O)C)[C@]2(OC2)[C@@H]1OC(=O)C > - > - > - > - > - > - > 21607197 > - > - > - > - > - > 86560 > - $$$$