HMDB0032050 RDKit 3D alpha-Terpineol formate 31 31 0 0 0 0 0 0 0 0999 V2000 4.0383 0.0730 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -0.0425 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 0.9694 -0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4211 0.9246 -0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -0.2967 -0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 0.0292 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 -1.2207 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 0.5478 -1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 0.9162 1.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 1.4586 1.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 1.1442 1.5793 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -0.9469 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9089 -1.3170 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 1.0713 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5823 -0.1334 -1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 -0.6618 0.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 1.9026 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2524 1.0420 -2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 1.8574 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -1.0414 -1.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9455 -1.5073 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 -0.9869 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2258 -2.0734 -0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 0.4209 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -0.0667 -1.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 1.5925 -1.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 2.1372 2.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7932 -0.1969 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0631 -1.8040 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 -1.7867 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4854 -2.0045 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 5 12 1 0 12 13 1 0 13 2 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 M END