LMPR0106150073 LIPID_MAPS_STRUCTURE_DATABASE 57 62 0 0 0 999 V2000 11.2631 9.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 8.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2607 8.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2582 8.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2582 9.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2607 10.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2557 8.1978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2532 8.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2532 9.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2557 10.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2509 10.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2509 11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2532 12.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2557 11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2482 9.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2457 10.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2457 11.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2482 12.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2434 12.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2434 13.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2457 13.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2482 13.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5853 14.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8653 14.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 7.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2340 10.7703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2818 10.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0189 10.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1469 11.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2782 11.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2596 7.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2543 9.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5977 8.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7222 7.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 6.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9402 13.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0683 11.7942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 8.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6525 7.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1550 6.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2045 6.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7293 7.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2045 8.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 9.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5516 6.0606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 6.1373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6540 10.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 8.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5674 13.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5418 12.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3352 13.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4103 13.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7209 14.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9478 14.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0299 11.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2708 9.6953 0.0000 H 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 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 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 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 3 25 1 1 0 0 0 5 26 1 1 0 0 0 9 27 1 1 0 0 0 16 28 1 1 0 0 0 17 29 1 1 0 0 0 18 30 1 1 0 0 0 4 31 1 6 0 0 0 11 32 1 6 0 0 0 2 33 1 1 0 0 0 3 34 1 6 0 0 0 34 35 1 0 0 0 0 20 36 1 1 0 0 0 19 37 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 38 1 0 0 0 0 38 44 1 1 0 0 0 40 45 1 1 0 0 0 39 46 1 6 0 0 0 41 47 1 6 0 0 0 42 33 1 1 0 0 0 44 48 2 0 0 0 0 44 49 1 0 0 0 0 36 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 1 0 0 0 53 55 1 0 0 0 0 29 56 1 0 0 0 0 10 57 1 6 0 0 0 M END > LMPR0106150073 > Gymnemic acid III > (3beta,4alpha,16beta,21beta,22alpha)-16,22,23,28-tetrahydroxy-21-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl-beta D-glucopyranosiduronic acid > C41H66O13 > 766.45 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > VLXWTKUXVXJELF-DDRSIQBQSA-N > InChI=1S/C41H66O13/c1-9-20(2)34(51)54-32-31(48)41(19-43)22(16-36(32,3)4)21-10-11-24-37(5)14-13-26(52-35-29(47)27(45)28(46)30(53-35)33(49)50)38(6,18-42)23(37)12-15-39(24,7)40(21,8)17-25(41)44/h10,20,22-32,35,42-48H,9,11-19H2,1-8H3,(H,49,50)/t20-,22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32-,35+,37-,38-,39+,40+,41-/m0/s1 > C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)[C@@H](OC([C@@H](C)CC)=O)[C@H](O)[C@]5(CO)[C@@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O > - > - > - > - > - > - > 14264066 > - > - > - > - > - > 4068 > 1327559 $$$$