LMPR0104330007 LIPID_MAPS_STRUCTURE_DATABASE 46 49 0 0 0 999 V2000 18.3343 8.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 11.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6541 7.4405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 9.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4533 11.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6569 7.5152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0194 6.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 8.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7704 9.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0083 6.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5181 7.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8147 9.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3884 9.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6830 10.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0936 8.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7988 7.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7833 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9175 10.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7833 9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0513 10.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0513 9.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9172 9.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1854 12.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3193 12.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9172 11.1622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9172 12.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7833 12.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0513 12.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 9.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3192 8.6623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1852 9.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6493 12.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5154 12.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3814 12.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2474 12.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1134 12.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9795 12.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3193 13.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4533 12.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5872 12.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7212 12.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8552 12.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9891 12.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2899 7.8789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1851 10.1623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32 22 1 0 0 0 0 22 21 1 0 0 0 0 22 19 1 0 0 0 0 32 30 1 0 0 0 0 32 1 1 0 0 0 0 21 2 1 0 0 0 0 30 14 1 0 0 0 0 30 3 1 0 0 0 0 1 4 1 0 0 0 0 2 24 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 2 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 21 19 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 17 1 1 0 0 0 19 18 1 0 0 0 0 19 20 1 0 0 0 0 21 26 1 6 0 0 0 22 23 1 6 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 27 28 1 0 0 0 0 30 31 1 6 0 0 0 28 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 25 39 2 0 0 0 25 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 1 45 2 0 0 0 32 46 1 1 0 0 M END > LMPR0104330007 > Wikstrocin C > 12-O-hexanoyl-13-O-octanoyl-7-oxo-6,7-dihydrophorbol-5-ene > C34H50O9 > 602.35 > Prenol Lipids [PR] > Isoprenoids [PR01] > C20 isoprenoids (diterpenes) [PR0104] > Tigliane and ingenane diterpenoids [PR010433] > > QZJJFBPXTYFVSV-BTHXHEGYSA-N > InChI=1S/C34H50O9/c1-7-9-11-12-14-16-25(37)43-34-28(31(34,5)6)26-27(38)22(19-35)18-32(40)23(17-20(3)29(32)39)33(26,41)21(4)30(34)42-24(36)15-13-10-8-2/h17-18,21,23,26,28,30,35,40-41H,7-16,19H2,1-6H3/t21-,23-,26+,28-,30-,32-,33+,34-/m1/s1 > C1(=O)C(CO)=C[C@]2(O)C(C(C)=C[C@@]2([H])[C@@]2(O)[C@@H]([C@@H](OC(CCCCC)=O)[C@@]3(OC(CCCCCCC)=O)C(C)(C)[C@@]3([H])[C@@]21[H])C)=O > - > - > - > - > - > - > 162647222 > - > - > - > - > - > 2778427 > 33172265 $$$$