HMDB0037318 RDKit 3D Isoliquiritin 52 54 0 0 0 0 0 0 0 0999 V2000 5.2750 0.4796 -3.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0782 0.0351 -1.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 0.0896 -1.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9051 -0.1895 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -0.0210 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 -0.3578 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 -0.2470 0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 0.2200 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 0.3584 -0.4151 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6562 0.1018 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 1.2058 0.9744 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 1.3440 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 2.7236 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2486 3.6232 -0.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5524 0.2587 0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 0.7125 1.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -0.9981 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3619 -0.8814 2.4675 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -1.0333 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9901 -2.2774 0.3317 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 0.5598 -1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 0.4455 -1.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3064 -0.3212 -1.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 -0.1640 -1.9739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7174 -0.4869 -1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8290 -0.9694 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0941 -1.2840 0.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -1.1332 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4422 -0.8055 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -0.9989 0.9006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0389 0.4827 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -0.5644 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2662 -0.7280 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1372 -0.5444 1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 -0.2840 1.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 1.1650 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3666 2.9864 1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0958 2.8339 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0806 3.3045 -1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1961 0.0237 -0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2672 0.5325 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4454 -1.8448 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5883 -1.6654 3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 -0.8487 -0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7172 -2.9532 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1791 0.9407 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 0.7321 -2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.2113 -2.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6447 -0.3732 -2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5923 -0.5391 0.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -1.5112 1.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4108 -1.3451 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 21 1 0 21 22 2 0 2 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 22 5 1 0 29 23 1 0 19 10 1 0 3 31 1 0 4 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 24 48 1 0 25 49 1 0 27 50 1 0 28 51 1 0 30 52 1 0 M END