Mrv1652309272007462D 70 78 0 0 0 0 999 V2000 2502.7596 2501.9715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.3682 2499.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2501.6404 2500.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.0105 2498.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.1491 2498.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.5819 2501.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.8665 2501.5718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.2993 2502.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.2993 2504.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8665 2504.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.1491 2500.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.2952 2498.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2500.9108 2499.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2503.3458 2503.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2504.3953 2503.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.0978 2500.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2505.2993 2502.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2496.5805 2500.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.8647 2499.9204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.8647 2499.0937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2496.5805 2498.6806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.2963 2499.0937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2497.2963 2499.9204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8672 2504.0510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2495.1515 2503.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.1515 2502.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8672 2502.3981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5830 2502.8113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2496.5830 2503.6378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2503.8849 2502.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.5815 2501.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1721 2498.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2498.9430 2498.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2499.9851 2498.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1833 2500.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2499.4590 2500.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.7447 2499.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.7447 2499.1076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2499.4590 2498.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1932 2499.9421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2500.1932 2499.1172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2500.9076 2498.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2501.6219 2499.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.3780 2501.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.3780 2500.3869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2503.0923 2499.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.8067 2500.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.8231 2502.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.1087 2502.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2503.1087 2501.6413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2503.8231 2501.2290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2504.5374 2501.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2504.5374 2502.4663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2501.6401 2501.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.9258 2501.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.9258 2500.3709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2501.6401 2499.9585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5805 2497.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2493.7247 2497.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2493.0100 2497.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.5806 2496.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.1526 2495.3825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2493.7247 2496.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8664 2498.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2495.8663 2496.6193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.1521 2496.2069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2494.4376 2496.6194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2494.4377 2497.4441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.1519 2497.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8663 2497.4441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 18 6 1 1 0 0 0 19 11 1 6 0 0 0 20 5 1 1 0 0 0 22 12 1 6 0 0 0 4 22 1 0 0 0 0 18 23 1 0 0 0 0 22 23 1 0 0 0 0 24 10 1 6 0 0 0 24 25 1 0 0 0 0 27 7 1 6 0 0 0 28 8 1 1 0 0 0 27 28 1 0 0 0 0 29 9 1 6 0 0 0 24 29 1 0 0 0 0 28 29 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 1 31 2 0 0 0 0 31 30 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 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 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 39 33 1 0 0 0 0 39 34 1 0 0 0 0 38 4 1 1 0 0 0 36 40 1 0 0 0 0 39 41 1 0 0 0 0 40 35 1 1 0 0 0 41 32 1 6 0 0 0 56 40 1 0 0 0 0 43 57 1 0 0 0 0 57 3 1 1 0 0 0 56 13 1 6 0 0 0 54 44 2 0 0 0 0 57 45 1 0 0 0 0 45 2 1 6 0 0 0 53 30 1 1 0 0 0 53 17 1 0 0 0 0 48 14 1 0 0 0 0 48 15 1 0 0 0 0 50 44 1 0 0 0 0 47 51 1 0 0 0 0 51 31 1 1 0 0 0 50 16 1 6 0 0 0 59 60 1 0 0 0 0 65 61 1 6 0 0 0 66 62 1 1 0 0 0 65 66 1 0 0 0 0 67 63 1 6 0 0 0 66 67 1 0 0 0 0 68 59 1 1 0 0 0 67 68 1 0 0 0 0 70 64 1 6 0 0 0 58 70 1 0 0 0 0 65 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 21 58 1 6 0 0 0 M END > FDB093555 > 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]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@]6([H])CC[C@@]45C)[C@@]3([H])CC1(C)C)C(=O)O2 > InChI=1S/C47H74O17/c1-42(2)16-22-21-8-9-27-44(5)12-11-28(43(3,4)26(44)10-13-46(27,7)45(21,6)14-15-47(22)17-29(42)63-41(47)57)62-40-37(64-39-36(56)33(53)31(51)24(18-48)60-39)34(54)32(52)25(61-40)20-59-38-35(55)30(50)23(49)19-58-38/h8,22-40,48-56H,9-20H2,1-7H3/t22-,23+,24-,25-,26+,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,44+,45-,46-,47-/m1/s1 > CMQUDKMXEKUQCJ-NANHUEAYSA-N > C47H74O17 > 911.092 > 910.492600923 > 16 > 138 > 98.68494273235385 > 0 > 9 > 0 > 0 > (1R,4S,5R,8R,10S,13R,14R,18R,21S)-10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-16-en-23-one > 1.74 > 1.3463214959999994 > -3.67 > 1 > 9 > 0 > 12.333195693201663 > 11.861764006103858 > -3.526580404084756 > 263.74999999999994 > 222.92519999999996 > 8 > 0 > 1.93e-01 g/l > (1R,4S,5R,8R,10S,13R,14R,18R,21S)-10-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,5,9,9,13,20,20-heptamethyl-22-oxahexacyclo[19.2.1.0^{1,18}.0^{4,17}.0^{5,14}.0^{8,13}]tetracos-16-en-23-one > 0 > FDB093555 > 3beta-{O-D-Glucopyranosyl-(1_2)-[O-alpha-L-arabinopyranosyl(1_6)]beta-D-glucopyranosyloxy}-machaerinic acid _-lactone $$$$