HMDB0041425 RDKit 3D Isoleptospermone 41 41 0 0 0 0 0 0 0 0999 V2000 4.8229 0.0496 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 0.5785 -0.3693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 0.1535 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -1.3448 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 0.7379 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8514 1.4317 -1.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 0.6031 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -0.7402 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -1.4890 -1.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -1.2082 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 -1.9670 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -2.2173 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 -0.0670 0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8793 -0.2388 0.0393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1272 1.2593 0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 2.3230 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6284 1.7356 1.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 1.1446 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0761 1.4535 1.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2053 -0.9551 0.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 0.0431 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7086 0.7318 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 1.6768 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 0.1939 -1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2214 0.4639 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4301 -1.7210 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -1.7520 0.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 -1.7520 -1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5368 1.2561 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 -2.0687 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -1.3954 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0195 -2.9722 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -3.1299 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 -2.4668 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 -1.8185 -2.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4581 1.9427 -1.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3867 2.8628 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 3.0928 -0.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7111 1.6270 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 1.1350 2.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3605 2.8074 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 18 19 2 0 18 7 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 7 29 1 0 11 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 M END