HMDB0030039 RDKit 3D Jasmolone 29 29 0 0 0 0 0 0 0 0999 V2000 4.1025 1.0921 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5847 -0.3154 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -0.5816 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -0.8993 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -1.1569 0.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 -0.2202 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 -0.5734 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6884 -1.9712 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0929 0.6332 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 0.8804 1.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 1.7892 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9256 1.2519 0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0072 1.8283 1.0793 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6439 1.7579 -1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2045 1.1344 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7478 1.4326 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 -0.4251 -1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 -1.0203 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -0.5046 1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 -0.9495 -1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2247 -2.2044 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -1.0266 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2447 -2.6712 0.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 -2.0104 -0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 -2.2928 -1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7205 0.5425 -0.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 1.8315 1.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4841 2.7268 0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8123 1.9225 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 M END