LMPR0106150044 LIPID_MAPS_STRUCTURE_DATABASE 59 65 0 0 0 999 V2000 11.0575 8.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 9.0773 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 9.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 9.0773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6081 8.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 7.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0575 7.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7821 8.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6444 9.0772 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 7.6081 7.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7459 7.0859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9726 6.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4704 7.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9305 6.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 8.5794 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 8.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 7.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3328 6.5879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1951 8.0814 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 8.5792 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 7.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5191 7.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7313 5.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 7.1117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 7.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7475 7.0918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 6.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 6.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.1059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2521 7.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 8.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 5.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2674 5.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2515 7.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 7.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 8.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7487 7.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2422 6.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 6.2630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 7.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 7.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2385 8.8637 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 47 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 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 43 17 1 1 0 0 44 39 1 6 0 0 45 40 1 1 0 0 46 41 1 1 0 0 53 59 1 0 0 0 58 52 1 0 0 0 52 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 41 1 1 0 0 55 49 1 6 0 0 56 50 1 1 0 0 57 51 1 6 0 0 M END > LMPR0106150044 > Cincholic acid 3beta-O-beta-D-glucopyranosyl-(1-4)-beta-D-fucopyranoside > 3beta-[O-beta-D-glucopyranosyl-(1-4)-beta-D-fucopyranosyl]-olean-12-en-27,28-dioic acid > C42H66O14 > 794.45 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > OPPNKBZIGKCERC-YAYHLVITSA-N > InChI=1S/C42H66O14/c1-20-32(56-34-30(47)28(45)27(44)23(19-43)54-34)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(22,35(49)50)16-17-42(21,40)36(51)52/h8,20,22-34,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/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])(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]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](C)O3)CC1)CC2)C > - > - > - > - > - > - > 11445721 > - > - > - > - > - > 128375 > 15467250 $$$$