LMPR0106180021 LIPID_MAPS_STRUCTURE_DATABASE 41 45 0 0 0 999 V2000 11.0187 8.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 9.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 10.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 10.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 10.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 9.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4408 9.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 8.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 7.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 7.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 8.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5965 9.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 11.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4558 10.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4559 11.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 7.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 7.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9446 6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4407 7.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8992 6.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 8.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 9.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0187 9.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8781 8.0531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 7.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 6.5648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 8.0531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 10.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7373 9.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 10.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3151 10.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4558 9.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4558 8.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 12.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1591 6.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 13.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 12.3481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 11.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9504 5.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4996 5.2236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0601 4.3293 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 34 13 1 0 0 0 30 14 1 0 0 0 14 15 1 0 0 0 34 15 1 0 0 0 16 19 1 0 0 0 16 17 1 1 0 0 19 18 1 6 0 0 19 25 1 0 0 0 19 20 1 1 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 9 35 1 1 0 0 34 36 1 6 0 0 13 37 1 6 0 0 13 38 1 1 0 0 18 39 2 0 0 0 18 40 1 0 0 0 40 41 1 0 0 0 M END > LMPR0106180021 > Uncariursanic acid > 3beta,6beta,19alpha-trihydroxy-urs-12-en-28-oic acid-24-carboxylic acid methyl ester > C31H48O7 > 532.34 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Taraxastane, ursane and bauerane triterpenoids [PR010618] > > ZIAIMJUMJYHIDX-XAXDIXKMSA-N > InChI=1S/C31H48O7/c1-17-10-13-31(24(34)35)15-14-27(3)18(22(31)30(17,6)37)8-9-20-26(2)12-11-21(33)29(5,25(36)38-7)23(26)19(32)16-28(20,27)4/h8,17,19-23,32-33,37H,9-16H2,1-7H3,(H,34,35)/t17-,19-,20-,21+,22-,23-,26-,27-,28-,29-,30-,31+/m1/s1 > [C@@]12([C@]3(C)CC[C@]4(C(=O)O)[C@@]([H])([C@](C)(O)[C@H](C)CC4)C3=CC[C@]1([H])[C@]1(C)[C@]([H])([C@](C)(C(OC)=O)[C@@H](O)CC1)[C@H](O)C2)C > - > - > - > - > - > - > 171121350 > - > - > - > - > - > 714513 > 22222909 $$$$