HMDB0012915 RDKit 3D Coniferyl alcohol 25 25 0 0 0 0 0 0 0 0999 V2000 -2.9740 -2.0024 0.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -0.6597 0.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 0.1744 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6324 -0.2239 0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4264 0.6276 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 0.2374 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2281 -0.9505 0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -1.2189 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3935 -0.0583 0.1946 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1203 1.9241 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 2.3628 -0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1981 1.4788 -0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5110 1.9624 -0.6236 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0084 -2.6083 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 -2.2924 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 -2.3356 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 -1.2617 0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5793 0.9951 -0.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -1.7323 0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0175 -2.0543 -0.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8790 -1.4396 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3691 0.1452 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 2.6425 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3861 3.3903 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7056 2.8972 -0.8919 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 8 9 1 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 8 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 M END