LMPR0106150046 LIPID_MAPS_STRUCTURE_DATABASE 61 67 0 0 0 999 V2000 3.0995 -5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -5.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 -7.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -5.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -7.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8452 -4.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7181 -3.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5911 -4.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5911 -5.2413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3370 -4.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3371 -5.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -5.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -2.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3369 -2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2099 -2.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2099 -3.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9074 -1.5619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9175 -1.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -7.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -7.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 -4.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -4.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -4.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -7.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -5.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5912 -6.2492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2444 -5.7774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1277 -4.2716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 -8.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7431 -7.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7218 -9.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7090 -9.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2273 -6.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3663 -8.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2385 -6.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7366 -7.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2236 -8.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 -8.5240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 -7.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7128 -7.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4973 -6.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2375 -7.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2207 -9.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6061 -9.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4136 -11.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 -8.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4890 -7.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3604 -8.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3520 -9.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -9.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4665 -10.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 -2.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -7.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -5.9414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4802 -4.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 2 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 3 1 0 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 8 1 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 14 1 0 0 0 15 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 16 1 0 0 0 20 23 1 0 0 0 20 24 1 0 0 0 4 25 1 6 0 0 4 26 1 1 0 0 16 27 1 1 0 0 8 28 1 1 0 0 2 29 1 1 0 0 5 30 1 1 0 0 6 31 1 6 0 0 14 32 1 6 0 0 27 33 1 0 0 0 27 34 2 0 0 0 26 35 1 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 33 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 36 1 1 0 0 53 47 1 6 0 0 54 48 1 1 0 0 55 49 1 6 0 0 19 58 1 6 0 0 3 59 1 6 0 0 7 60 1 6 0 0 15 61 1 1 0 0 M END > LMPR0106150046 > > 2alpha,3beta,19alpha,24-tetrahydroxyolean-12-en-28-oic acid 28-O-beta-d-glucopyranosyl-(1-2)-beta-d-glucopyranoside > C42H68O16 > 828.45 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Oleanane triterpenoids [PR010615] > > PNGORLULBDXVJU-FGOAGTCBSA-N > InChI=1S/C42H68O16/c1-37(2)11-13-42(36(54)58-35-31(29(50)27(48)22(17-44)56-35)57-34-30(51)28(49)26(47)21(16-43)55-34)14-12-40(5)19(25(42)33(37)53)7-8-24-38(3)15-20(46)32(52)39(4,18-45)23(38)9-10-41(24,40)6/h7,20-35,43-53H,8-18H2,1-6H3/t20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,38+,39-,40-,41-,42+/m1/s1 > C1[C@@H](O)[C@H](O)[C@@](CO)(C)[C@]2([H])CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)CCC(C)(C)[C@@H](O)[C@@]5([H])C4=CC[C@]3([H])[C@@]12C > - > - > - > - > - > - > 171118552 > - > - > - > - > - > 1341829 > 33043693 $$$$