LMPR0106180020 LIPID_MAPS_STRUCTURE_DATABASE 42 46 0 0 0 999 V2000 8.5042 9.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 7.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 7.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 10.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 10.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 9.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 10.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 11.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 9.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 8.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1144 9.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 11.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 12.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 10.5756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 9.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 10.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 9.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9844 8.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 12.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 13.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 9.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 8.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 7.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 6.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9428 6.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 7.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7642 6.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7245 10.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 8.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5946 9.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4646 10.0732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 7.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 7.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 6.0546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0848 11.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9381 6.0898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4444 5.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9413 4.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4351 5.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 11 1 0 0 0 2 35 1 0 0 0 35 29 1 0 0 0 29 26 1 0 0 0 24 11 1 0 0 0 11 26 1 0 0 0 26 3 1 0 0 0 3 4 1 0 0 0 4 13 1 0 0 0 13 20 1 0 0 0 24 13 1 0 0 0 6 24 1 0 0 0 5 6 1 0 0 0 5 19 2 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 7 1 0 0 0 7 8 1 0 0 0 8 31 1 0 0 0 31 9 1 0 0 0 17 31 1 0 0 0 15 17 1 0 0 0 22 15 1 0 0 0 22 10 1 0 0 0 9 10 1 0 0 0 11 12 1 1 0 0 13 14 1 1 0 0 15 16 1 1 0 0 17 18 1 1 0 0 20 21 1 6 0 0 22 23 1 6 0 0 24 25 1 6 0 0 26 27 1 6 0 0 29 28 1 6 0 0 29 30 1 0 0 0 31 33 1 1 0 0 33 32 1 0 0 0 33 34 2 0 0 0 35 36 1 1 0 0 3 37 1 1 0 0 15 38 1 6 0 0 28 39 1 0 0 0 28 40 1 0 0 0 40 41 1 0 0 0 39 42 1 0 0 0 M END > LMPR0106180020 > > 24-dimethoxy-3beta,6beta,19alpha-trihydroxyurs-12-en-28-oic acid > C32H52O7 > 548.37 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Taraxastane, ursane and bauerane triterpenoids [PR010618] > > USJKWZMUWKNOSF-LCKMQYNLSA-N > InChI=1S/C32H52O7/c1-18-11-14-32(25(35)36)16-15-28(3)19(23(32)31(18,6)37)9-10-21-27(2)13-12-22(34)30(5,26(38-7)39-8)24(27)20(33)17-29(21,28)4/h9,18,20-24,26,33-34,37H,10-17H2,1-8H3,(H,35,36)/t18-,20-,21-,22+,23-,24-,27-,28-,29-,30-,31-,32+/m1/s1 > C1[C@@]2(C)[C@@]([H])([C@H](O)C[C@]3(C)[C@]2([H])CC=C2[C@@]3(C)CC[C@]3(C(=O)O)[C@@]2([H])[C@@](O)(C)[C@H](C)CC3)[C@](C)(C(OC)OC)[C@@H](O)C1 > - > - > - > - > - > - > 171118847 > - > - > - > - > - > 714514 > 32691629 $$$$