LMPR0106150024 LIPID_MAPS_STRUCTURE_DATABASE 59 65 0 0 0 0 0 0 0 0999 V2000 8.5763 9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5763 8.7402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2908 8.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2908 9.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0055 9.5677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0068 8.7402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7204 8.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4340 8.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7177 9.9854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4304 9.5710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4303 11.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7138 10.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1472 10.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1379 9.9845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8460 9.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5607 9.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8603 11.2129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5659 10.7969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2782 11.1941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2887 12.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5831 12.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8629 12.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8622 8.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9982 10.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4284 10.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8544 10.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2763 10.3867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8714 7.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6988 7.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2779 9.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9935 10.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1663 13.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9936 13.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0023 7.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7133 9.1602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1353 9.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8453 8.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8425 7.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5528 7.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1213 7.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 6.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2601 6.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2534 5.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9667 5.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6849 5.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6886 6.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9747 6.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3999 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1491 8.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4308 8.3290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 9.5693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7135 8.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7145 9.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4337 9.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4351 10.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7171 11.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 10.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 9.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7168 12.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 3 28 1 0 0 0 0 13 14 1 0 0 0 0 3 29 1 0 0 0 0 1 2 1 0 0 0 0 27 30 2 0 0 0 0 1 4 1 0 0 0 0 27 31 1 0 0 0 0 2 3 1 0 0 0 0 21 32 1 0 0 0 0 5 9 1 0 0 0 0 21 33 1 0 0 0 0 13 17 1 0 0 0 0 6 34 1 6 0 0 0 14 15 1 0 0 0 0 9 35 1 6 0 0 0 15 16 1 0 0 0 0 14 36 1 6 0 0 0 16 18 1 0 0 0 0 36 37 1 0 0 0 0 17 18 1 0 0 0 0 37 38 1 0 0 0 0 6 7 1 0 0 0 0 38 39 1 0 0 0 0 7 8 1 0 0 0 0 38 40 2 0 0 0 0 8 10 1 0 0 0 0 39 41 2 0 0 0 0 9 10 1 0 0 0 0 41 42 1 0 0 0 0 3 6 1 0 0 0 0 42 43 2 0 0 0 0 5 4 1 0 0 0 0 43 44 1 0 0 0 0 17 22 1 0 0 0 0 44 45 2 0 0 0 0 18 19 1 0 0 0 0 45 46 1 0 0 0 0 19 20 1 0 0 0 0 46 47 2 0 0 0 0 47 42 1 0 0 0 0 20 21 1 0 0 0 0 45 48 1 0 0 0 0 21 22 1 0 0 0 0 23 49 1 0 0 0 0 5 6 1 0 0 0 0 49 50 1 0 0 0 0 2 23 1 1 0 0 0 49 51 2 0 0 0 0 50 52 2 0 0 0 0 5 24 1 1 0 0 0 52 53 1 0 0 0 0 9 12 1 0 0 0 0 53 54 2 0 0 0 0 10 25 1 1 0 0 0 54 55 1 0 0 0 0 10 14 1 0 0 0 0 55 56 2 0 0 0 0 17 26 1 1 0 0 0 56 57 1 0 0 0 0 13 11 2 0 0 0 0 57 58 2 0 0 0 0 58 53 1 0 0 0 0 18 27 1 1 0 0 0 56 59 1 0 0 0 0 M END > LMPR0106150024 > Asprellic acid C > 3-O-cis-p-coumaroyl-27-O-trans-p-coumaroyl-3beta,27-dihydroxy-olean-12-en-28-oic acid > C48H60O8 > 764.43 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > YBOIBOWMTWFCEG-AINGNVPBSA-N > InChI=1S/C48H60O8/c1-43(2)25-26-47(42(53)54)27-28-48(30-55-40(51)19-11-31-7-13-33(49)14-8-31)35(36(47)29-43)17-18-38-45(5)23-22-39(44(3,4)37(45)21-24-46(38,48)6)56-41(52)20-12-32-9-15-34(50)16-10-32/h7-17,19-20,36-39,49-50H,18,21-30H2,1-6H3,(H,53,54)/b19-11+,20-12-/t36-,37-,38+,39-,45-,46+,47-,48-/m0/s1 > C1C[C@@]2(C)[C@](C([C@H]1OC(=O)/C=C\C1C=CC(O)=CC=1)(C)C)(CC[C@]1([C@]3(COC(=O)/C=C/C4C=CC(O)=CC=4)CC[C@@]4(C(O)=O)CCC(C[C@@]4([H])C3=CC[C@]21[H])(C)C)C)[H] > - > - > 65456 > - > - > - > 10350206 > - > - > - > - > - > - > - $$$$