LMPR0106180028 LIPID_MAPS_STRUCTURE_DATABASE 60 66 0 0 0 999 V2000 3.0856 -5.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -6.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0856 -7.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -6.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -5.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -5.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -5.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -6.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8235 -7.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 -4.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6923 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 -4.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5614 -5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 -3.7124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2994 -4.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2995 -5.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 -5.7193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4304 -2.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2993 -2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 -2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1684 -3.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4277 -7.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 -7.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2096 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -4.7160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -4.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -7.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3476 -5.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5615 -6.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -5.7514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -4.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6947 -7.6347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 -9.3671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 -9.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1902 -6.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3376 -8.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 -6.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6927 -7.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1821 -8.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1803 -8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6844 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6826 -7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4409 -6.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1733 -7.6596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1566 -9.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5538 -9.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3531 -11.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5595 -8.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4327 -7.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3001 -8.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 -9.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4187 -9.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4103 -10.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2992 -1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5682 -2.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4303 -1.7089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8205 -6.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -7.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4716 -4.4783 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 4 23 1 0 0 0 4 24 1 0 0 0 16 25 1 1 0 0 8 26 1 1 0 0 2 27 1 1 0 0 5 28 1 1 0 0 6 29 1 6 0 0 14 30 1 6 0 0 25 31 1 0 0 0 25 32 2 0 0 0 37 43 1 0 0 0 42 36 1 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 1 0 0 38 31 1 1 0 0 39 33 1 6 0 0 40 34 1 1 0 0 41 35 1 6 0 0 48 54 1 0 0 0 53 47 1 0 0 0 47 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 49 33 1 1 0 0 50 44 1 6 0 0 51 45 1 1 0 0 52 46 1 6 0 0 20 55 1 6 0 0 19 56 1 1 0 0 19 57 1 6 0 0 3 59 1 6 0 0 7 58 1 6 0 0 15 60 1 1 0 0 M END > LMPR0106180028 > Officinoterpenoside B > 2alpha,3beta,19-trihydroxyursan-12-en-28-oic acid 28-O-beta-d-glucopyranosyl-(1-2)-beta-d-glucopyranoside > C42H68O15 > 812.46 > Prenol Lipids [PR] > Isoprenoids [PR01] > C30 isoprenoids (triterpenes) [PR0106] > Taraxastane, ursane and bauerane triterpenoids [PR010618] > > LAAQDTGBDMDDMK-GAYJKOJDSA-N > InChI=1S/C42H68O15/c1-19-10-13-42(36(52)57-35-31(29(49)27(47)23(18-44)55-35)56-34-30(50)28(48)26(46)22(17-43)54-34)15-14-39(5)20(32(42)41(19,7)53)8-9-25-38(4)16-21(45)33(51)37(2,3)24(38)11-12-40(25,39)6/h8,19,21-35,43-51,53H,9-18H2,1-7H3/t19-,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(C)(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)CC[C@@H](C)[C@](O)(C)[C@@]5([H])C4=CC[C@]3([H])[C@@]12C > - > - > - > - > - > - > 171120743 > - > - > - > - > - > 39367 > 25200369 $$$$