HMDB0031996 RDKit 3D Licorice glycoside E 85 91 0 0 0 0 0 0 0 0999 V2000 -8.6425 0.6737 3.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 1.1750 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7265 0.4071 1.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3344 0.8389 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 0.1909 -0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5078 -0.8613 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3518 -1.4464 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 -1.0027 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 -1.5380 -1.6868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 -2.6005 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5248 -3.7648 -1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0632 -4.8959 -1.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8513 -6.0783 -1.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -7.2770 -0.9728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -4.9898 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -6.2443 -1.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -3.9038 -2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -3.9535 -3.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5206 -2.5602 -1.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -2.4202 -0.4305 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1848 -1.3331 -0.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 -1.7740 -0.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -0.6561 -0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 0.4631 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1939 1.3437 -0.8676 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 1.0159 1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 1.5743 1.1564 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5636 2.6593 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 3.2738 -0.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9464 3.1607 0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3443 4.2540 -0.5293 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6986 4.3789 -0.4499 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 3.3725 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 3.0616 0.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7077 1.9707 1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6180 1.2244 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3431 1.5435 1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1030 2.6285 0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 -0.2970 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2084 -0.9363 1.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 0.0663 -1.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5550 0.6591 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3236 2.2558 0.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 2.9898 0.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7816 4.2155 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9188 4.9151 0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1689 6.1401 -0.0342 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7241 4.3700 1.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3899 3.1249 2.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2669 2.4556 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9008 0.6641 2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9483 -0.6521 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1737 0.4987 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 -1.2527 1.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.2879 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0885 -2.7292 -0.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 -4.7148 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -5.8445 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 -6.1929 -2.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5194 -8.0404 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 -4.8257 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39 78 1 0 40 79 1 0 41 80 1 0 42 81 1 0 45 82 1 0 47 83 1 0 48 84 1 0 49 85 1 0 M END