LMPR0104230003 LIPID_MAPS_STRUCTURE_DATABASE 39 42 0 0 0 999 V2000 12.1197 10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1197 9.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 8.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 10.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4733 8.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5103 8.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4070 8.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9516 9.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9114 10.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2980 11.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3352 11.5031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4028 11.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8508 10.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8508 9.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9851 7.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9032 12.0077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8508 11.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8508 8.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5211 7.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4845 6.9953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0319 7.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8386 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7416 6.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8502 10.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1197 11.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2541 8.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 9.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 8.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3885 10.3084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0106 7.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2146 9.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9169 9.1878 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.4028 12.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9032 13.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4023 12.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6574 9.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7918 8.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9262 9.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 8.8092 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 2 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 4 25 1 6 0 0 0 1 25 1 6 0 0 0 2 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 6 30 1 1 0 0 0 5 31 1 6 0 0 0 8 32 1 6 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 28 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 M END > LMPR0104230003 > (-)-Solenolide A > > C28H39O9Cl > 554.23 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Briarane diterpenoids [PR010423] > > ZHRQZDUCHNCZES-FFZNZPEOSA-N > InChI=1S/C28H39ClO9/c1-7-8-9-10-18(31)36-21-14(3)19-23(32)28(34)15(4)26(33)38-24(28)20(29)13(2)11-12-17(35-16(5)30)27(19,6)25-22(21)37-25/h11-12,14-15,17,19-25,32,34H,2,7-10H2,1,3-6H3/b12-11-/t14-,15+,17+,19-,20+,21+,22+,23+,24+,25+,27-,28-/m1/s1 > [C@@H]12O[C@@H]1[C@@]1(C)[C@@]([H])([C@H](O)[C@]3(O)[C@@H](C)C(=O)O[C@H]3[C@@H](Cl)C(=C)C=C[C@@H]1OC(=O)C)[C@@H](C)[C@@H]2OC(=O)CCCCC > - > - > - > - > - > - > 42608235 > - > - > - > - > - > 2626813 > - $$$$