Mrv1652309272007352D 62 69 0 0 0 0 999 V2000 2498.8062 2500.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.9495 2500.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.3799 2502.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2496.6657 2503.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.9495 2501.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2498.0921 2499.7178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2497.3786 2501.7794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.6639 2501.3670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.6639 2500.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2497.3786 2500.1293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2498.0932 2500.5418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2498.0932 2501.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.5424 2503.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.1517 2500.9909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.4251 2502.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2501.6966 2500.9909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2504.1277 2505.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2505.1756 2504.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.8802 2502.2619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2506.0781 2504.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2504.6660 2503.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2504.3631 2503.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.9591 2499.8297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2499.7320 2499.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.7725 2499.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.9703 2502.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.2471 2501.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2499.5340 2501.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2499.5340 2500.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2500.2471 2500.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.9802 2501.3878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2500.9802 2500.5642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2501.6934 2500.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.4066 2500.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.1614 2502.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.1614 2501.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2503.8748 2501.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2504.5880 2501.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2504.6043 2504.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.8911 2503.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.8911 2503.0843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2504.6043 2502.6725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2505.3175 2503.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2505.3175 2503.9079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2502.4248 2503.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2501.7116 2502.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2501.7116 2501.8158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.4248 2501.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.3786 2499.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2494.5220 2499.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2493.8070 2498.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2494.5211 2500.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.3786 2497.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.9501 2496.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2494.5218 2497.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.6645 2499.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2496.6642 2498.0674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.9497 2497.6547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.2351 2498.0674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2495.2352 2498.8924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.9497 2499.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.6643 2498.8925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 7 3 1 1 0 0 0 8 5 1 6 0 0 0 9 2 1 1 0 0 0 11 6 1 6 0 0 0 1 11 1 0 0 0 0 7 12 1 0 0 0 0 11 12 1 0 0 0 0 13 22 2 0 0 0 0 22 21 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 0 0 0 0 39 44 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 30 24 1 0 0 0 0 30 25 1 0 0 0 0 27 31 1 0 0 0 0 30 32 1 0 0 0 0 31 26 1 1 0 0 0 32 23 1 6 0 0 0 47 31 1 0 0 0 0 34 48 1 0 0 0 0 48 15 1 1 0 0 0 47 16 1 6 0 0 0 45 35 2 0 0 0 0 48 36 1 0 0 0 0 36 14 1 6 0 0 0 44 21 1 1 0 0 0 44 20 1 0 0 0 0 39 17 1 0 0 0 0 39 18 1 0 0 0 0 41 35 1 0 0 0 0 38 42 1 0 0 0 0 42 22 1 1 0 0 0 41 19 1 6 0 0 0 29 1 1 1 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 57 53 1 6 0 0 0 58 54 1 1 0 0 0 57 58 1 0 0 0 0 59 55 1 6 0 0 0 58 59 1 0 0 0 0 60 50 1 1 0 0 0 59 60 1 0 0 0 0 62 56 1 6 0 0 0 49 62 1 0 0 0 0 57 62 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 10 49 1 6 0 0 0 M END > FDB093556 > foodb > [H][C@]12C[C@@]3(CC[C@]4(C)C(=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(C)(C)[C@]6([H])CC[C@@]45C)[C@@]3([H])CC1(C)C)C(=O)O2 > InChI=1S/C42H64O14/c1-37(2)16-20-19-8-9-23-39(5)12-11-24(38(3,4)22(39)10-13-41(23,7)40(19,6)14-15-42(20)17-25(37)54-36(42)51)53-35-32(28(46)26(44)21(18-43)52-35)56-34-30(48)27(45)29(47)31(55-34)33(49)50/h8,20-32,34-35,43-48H,9-18H2,1-7H3,(H,49,50)/t20-,21-,22+,23-,24+,25+,26-,27+,28+,29+,30-,31+,32-,34+,35+,39+,40-,41-,42-/m1/s1 > LIBFICRLZUXATQ-HUTCXTCQSA-N > C42H64O14 > 792.96 > 792.429606741 > 13 > 120 > 86.26876771094447 > 0 > 7 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-2-{[(1R,4S,5R,8R,10S,13R,14R,18R,21S)-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-16-en-10-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 3.38 > 2.8070967376666656 > -4.10 > 1 > 8 > -1 > 12.10269753640029 > 3.134432444849915 > -2.9810837693956715 > 221.89999999999995 > 196.34180000000003 > 6 > 0 > 6.30e-02 g/l > (2S,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S,6R)-2-{[(1R,4S,5R,8R,10S,13R,14R,18R,21S)-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-16-en-10-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 > FDB093556 > 3beta-O-beta-D-Glucopyranosiduronic acid (1_2)-beta-D-glucopyranosyloxy]-machaerinic acid _-lactone $$$$