LMPR0106150042 LIPID_MAPS_STRUCTURE_DATABASE 59 65 0 0 0 999 V2000 11.0575 8.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 10.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 10.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9199 10.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9199 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4707 9.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 8.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 7.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 7.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 8.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6444 9.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 11.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5067 10.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5068 11.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6083 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 7.0860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9728 6.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4706 7.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9307 6.0727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 8.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 9.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 9.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9199 8.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 6.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 8.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 10.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 9.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 10.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3690 10.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5067 9.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5067 8.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1424 12.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6445 12.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1467 12.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7876 7.5805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5191 7.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1094 11.0613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8358 10.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8191 8.0513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2253 8.5655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0184 6.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2309 9.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1010 10.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9657 9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9573 8.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0872 8.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0788 7.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7332 5.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7313 5.3741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 7.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 7.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 7.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 6.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 6.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 7.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 8.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 1 23 1 1 0 0 2 1 1 0 0 0 2 21 1 0 0 0 2 27 1 6 0 0 4 2 1 0 0 0 3 4 1 0 0 0 3 5 2 0 0 0 28 5 1 0 0 0 5 6 1 0 0 0 1 6 1 0 0 0 6 11 1 0 0 0 6 24 1 6 0 0 7 8 1 0 0 0 7 21 1 0 0 0 8 16 1 0 0 0 25 9 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 12 30 1 0 0 0 13 28 1 0 0 0 35 13 1 0 0 0 30 14 1 0 0 0 14 15 1 0 0 0 35 15 1 0 0 0 16 19 1 0 0 0 16 17 1 1 0 0 19 18 1 0 0 0 19 25 1 0 0 0 19 20 1 0 0 0 21 25 1 0 0 0 21 22 1 1 0 0 25 26 1 6 0 0 28 30 1 0 0 0 28 29 1 1 0 0 30 32 1 1 0 0 32 31 1 0 0 0 32 33 2 0 0 0 35 34 1 0 0 0 35 36 1 0 0 0 24 37 2 0 0 0 24 38 1 0 0 0 43 49 1 0 0 0 48 42 1 0 0 0 42 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 1 0 0 44 31 1 1 0 0 45 39 1 6 0 0 46 40 1 1 0 0 47 41 1 6 0 0 58 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 0 0 0 57 58 1 0 0 0 58 59 1 1 0 0 54 17 1 1 0 0 55 50 1 6 0 0 56 51 1 1 0 0 57 52 1 1 0 0 M END > LMPR0106150042 > Cincholic acid 3beta-O-beta-D-fucopyranosyl-28-O-beta-D-glucopyranosyl ester > 3beta-[O-beta-D-fucopyranosyl]-28-[O-beta-D-glucopyranosyloxy[-olean-12-en-27,28-dioic acid > C42H66O14 > 794.45 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > ZCBRYYRPNSHPER-ZPHZKFDTSA-N > InChI=1S/C42H66O14/c1-20-27(44)29(46)31(48)33(53-20)55-26-11-12-39(6)24(38(26,4)5)10-13-40(7)25(39)9-8-21-22-18-37(2,3)14-15-41(22,16-17-42(21,40)35(50)51)36(52)56-34-32(49)30(47)28(45)23(19-43)54-34/h8,20,22-34,43-49H,9-19H2,1-7H3,(H,50,51)/t20-,22+,23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33+,34+,39+,40-,41+,42-/m1/s1 > [C@@]12([C@]3(C(O)=O)CC[C@]4(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]([H])(CC(C)(C)CC4)C3=CC[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](C)O3)CC1)CC2)C > - > - > - > - > - > - > 11479839 > - > - > - > - > - > 128375 > 15467250 $$$$