LMPR0106150058 LIPID_MAPS_STRUCTURE_DATABASE 57 63 0 0 0 999 V2000 11.0356 8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1749 9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 10.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1749 10.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8963 10.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8963 9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4538 9.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 8.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1749 7.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 7.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6174 9.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 11.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4780 10.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4781 11.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5931 7.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7326 7.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4537 7.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9129 6.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3143 8.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3145 9.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 9.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8963 8.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3143 7.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3143 6.5749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1749 8.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 10.5499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6175 10.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3386 10.0530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4780 9.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4780 8.5623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1144 12.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6175 12.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1207 12.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 5.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5803 5.6293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 7.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3195 8.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 8.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7384 7.1647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 6.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1599 6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.3534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3254 8.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2241 10.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7483 9.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3852 7.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9200 8.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3652 6.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0998 9.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0425 9.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8056 9.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6240 8.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6813 7.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4997 6.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 1 23 1 1 0 0 0 2 1 1 0 0 0 0 2 21 1 0 0 0 0 2 27 1 6 0 0 0 4 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 28 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 6 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 16 1 0 0 0 0 25 9 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 13 28 1 0 0 0 0 34 13 1 0 0 0 0 29 14 1 0 0 0 0 14 15 1 0 0 0 0 34 15 1 0 0 0 0 16 19 1 0 0 0 0 16 17 1 1 0 0 0 19 18 1 0 0 0 0 19 25 1 0 0 0 0 19 20 1 0 0 0 0 21 25 1 0 0 0 0 21 22 1 1 0 0 0 25 26 1 6 0 0 0 28 29 1 0 0 0 0 29 31 1 1 0 0 0 31 30 1 0 0 0 0 31 32 2 0 0 0 0 34 33 1 0 0 0 0 34 35 1 0 0 0 0 40 46 1 0 0 0 45 39 1 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 41 17 1 1 0 0 42 36 1 6 0 0 43 37 1 1 0 0 44 38 1 6 0 0 51 57 1 0 0 0 56 50 1 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 52 30 1 1 0 0 53 47 1 6 0 0 54 48 1 1 0 0 55 49 1 6 0 0 M END > LMPR0106150058 > Recurvataside > 3beta-glucopyranosyloxy-olean-13(18)-en-28-oic acid, 28 beta-D-glucopyranosyl ester > C42H68O13 > 780.47 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > GQXGMBMUZLDWAA-BOJZCLGQSA-N > InChI=1S/C42H68O13/c1-37(2)14-16-42(36(51)55-35-33(50)31(48)29(46)24(20-44)53-35)17-15-40(6)21(22(42)18-37)8-9-26-39(5)12-11-27(38(3,4)25(39)10-13-41(26,40)7)54-34-32(49)30(47)28(45)23(19-43)52-34/h23-35,43-50H,8-20H2,1-7H3/t23-,24-,25+,26-,27+,28-,29-,30+,31+,32-,33-,34+,35+,39+,40-,41-,42+/m1/s1 > [C@@]12([C@]3(C)CC[C@]4(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(CC(C)(C)CC4)=C3CC[C@]1([H])[C@]1(C)[C@]([H])(C(C)(C)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CC1)CC2)C > - > - > - > - > - > - > 171121048 > - > - > - > - > - > 43523 > 35176920 $$$$