Mrv1652306192123353D 62 65 0 0 0 0 999 V2000 -1.8639 -4.6256 -2.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3251 -4.0818 -1.2735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4047 -4.3316 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 -5.5914 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0313 -6.8316 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -7.6755 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4858 -7.0417 1.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4132 -5.7724 1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4591 -4.7879 1.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -3.5451 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 -2.5330 1.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 -1.2513 1.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9863 -0.3875 1.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1932 -0.9748 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 0.4306 -0.4833 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6203 1.4212 0.3981 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1636 1.3517 1.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 2.9047 -0.0952 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2967 3.8073 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 3.0346 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 3.2392 -0.0545 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 4.4923 -0.6095 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4642 4.3622 -2.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 5.5968 -2.6282 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9684 5.3603 -4.1400 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7003 4.8949 -4.6108 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 6.0393 -2.0642 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6451 7.3010 -2.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1622 6.1489 -0.5408 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4681 6.4380 -0.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6204 4.8566 0.0634 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4640 5.0420 1.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6195 -1.9416 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -3.2890 0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -4.2831 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8561 -4.2704 -2.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8891 -5.7197 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8389 -7.0743 -0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 -8.7022 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1678 -4.9736 2.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 0.7715 -0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 0.4145 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 1.1151 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8159 1.3451 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 3.8678 1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 3.4400 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 4.8345 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 4.0838 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 2.6119 -1.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 2.5345 -2.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.2638 -0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 6.3565 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 4.5890 -4.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 6.2763 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 4.1585 -4.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0286 5.3135 -2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4155 7.5802 -2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 7.0022 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3869 6.3180 0.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 4.0483 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 4.2243 1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3501 -1.7420 -1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 22 21 1 0 0 0 0 34 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 14 1 0 0 0 0 14 33 2 0 0 0 0 8 4 2 0 0 0 0 31 32 1 0 0 0 0 29 30 1 0 0 0 0 25 26 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 27 29 1 0 0 0 0 3 2 1 0 0 0 0 8 9 1 0 0 0 0 2 1 1 0 0 0 0 9 10 2 0 0 0 0 12 13 2 0 0 0 0 29 31 1 0 0 0 0 14 15 1 0 0 0 0 34 3 2 0 0 0 0 15 16 1 0 0 0 0 3 4 1 0 0 0 0 16 18 1 0 0 0 0 34 10 1 0 0 0 0 18 19 1 0 0 0 0 31 22 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 6 0 0 0 22 23 1 0 0 0 0 16 17 1 0 0 0 0 27 28 1 0 0 0 0 24 25 1 0 0 0 0 28 57 1 0 0 0 0 27 56 1 1 0 0 0 22 51 1 6 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 24 52 1 6 0 0 0 31 60 1 1 0 0 0 32 61 1 0 0 0 0 29 58 1 6 0 0 0 30 59 1 0 0 0 0 26 55 1 0 0 0 0 9 40 1 0 0 0 0 33 62 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 1 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 17 44 1 0 0 0 0 M END > NP0030150 > NP-MRD > [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(O[H])C([H])([H])C2=C([H])C3=C(OC([H])([H])[H])C4=C(OC([H])=C4[H])C([H])=C3OC2=O)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] > InChI=1S/C23H28O11/c1-23(2,34-22-19(28)18(27)17(26)15(9-24)33-22)16(25)7-10-6-12-14(32-21(10)29)8-13-11(4-5-31-13)20(12)30-3/h4-6,8,15-19,22,24-28H,7,9H2,1-3H3/t15-,16-,17-,18+,19-,22+/m1/s1 > WDDNGOYKRPGWQA-YBDKOWRTSA-N > C23H28O11 > 480.466 > 480.163161722 > 9 > 62 > 48.410517918571806 > 1 > 5 > 0 > 0 > 6-[(2R)-2-hydroxy-3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-4-methoxy-7H-furo[3,2-g]chromen-7-one > 0.39 > -0.5157666066666663 > -2.62 > 1 > 4 > 0 > 13.131400576834505 > 12.201512766735704 > -2.8113178532340846 > 168.28 > 115.17250000000004 > 7 > 1 > 1.16e+00 g/l > 6-[(2R)-2-hydroxy-3-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-4-methoxyfuro[3,2-g]chromen-7-one > 0 > NP0030150 > turbinatocoumarin $$$$