HMDB0039702 RDKit 3D Oryzalexin E 54 56 0 0 0 0 0 0 0 0999 V2000 3.8385 1.9797 1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 1.2191 0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5747 -0.1855 -0.0025 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7910 -1.0827 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -0.5635 1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -0.5712 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 -0.9578 1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.2999 1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3722 0.2820 0.3727 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8513 0.3523 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 1.2996 1.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.9189 0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2864 1.0203 -1.0873 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5814 0.6037 -1.3985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 0.6676 -2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 0.5995 -1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6304 -0.3052 -0.7982 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0473 -1.6835 -1.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -0.1606 -0.5728 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2526 1.1896 -0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7063 -0.9467 -1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.3819 -1.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 2.9847 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2880 1.6021 2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6041 1.6055 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3294 -1.1733 -0.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4294 -0.7431 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3969 -2.1053 0.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9028 -0.8631 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1598 -2.0711 1.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7841 -0.6982 2.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -1.0028 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 0.5398 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 1.3577 0.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 0.7022 2.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5374 2.0508 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2563 1.8149 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3928 -0.8659 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1764 -1.1988 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9933 -1.7972 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3268 2.1258 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 1.1750 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 1.5110 -3.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 -0.2288 -2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 0.2402 -2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 1.6303 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 -1.6725 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9067 -2.4325 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3901 -1.9943 -2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 1.7074 0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4182 -0.8662 -2.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 -2.0091 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 0.5830 -1.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -1.0642 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 6 3 4 1 0 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 6 17 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 22 3 1 0 19 6 1 0 17 9 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 1 11 35 1 0 11 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 12 40 1 0 13 41 1 1 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 18 48 1 0 18 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 M END