HMDB0038211 RDKit 3D Humulenol I 40 40 0 0 0 0 0 0 0 0999 V2000 -0.5562 3.1630 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5428 2.1099 -0.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 1.4228 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 0.9258 0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 -0.4598 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0991 -1.5135 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6540 -2.9174 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6291 -1.2798 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0476 -1.5215 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1541 -1.0733 -0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 -0.3044 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -0.9941 1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4168 -0.3150 -0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 1.1401 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 1.6918 -0.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6541 0.8566 -2.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4757 3.5173 0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 3.7353 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 2.2109 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 0.6518 -1.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 1.5617 0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7842 1.1805 1.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9755 -0.7081 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -3.5555 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 -3.2385 -0.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5650 -2.9670 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 -0.3124 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2637 -2.1054 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 -2.0875 -1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4863 -1.3177 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1228 -2.0886 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6715 -0.5261 2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 -0.8690 1.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -1.3485 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4491 0.4441 -1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1656 -0.0613 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 1.7625 0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2232 1.3412 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2361 2.6460 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0714 1.2029 -2.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 15 2 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 7 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 10 30 1 0 12 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 13 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 M END