HMDB0038208 RDKit 3D Humuladienone 40 40 0 0 0 0 0 0 0 0999 V2000 3.6094 -0.8312 0.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -0.6607 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 0.5435 -0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 0.8190 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 1.9059 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 3.1898 -1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3704 2.1942 1.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7365 1.7524 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2586 0.7561 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 -0.2631 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -1.6271 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7536 -1.5371 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 -2.4891 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0183 -3.5250 -0.3092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.2705 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 -1.8420 -0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 0.0806 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6722 -1.7367 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -0.9453 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 1.3818 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -0.0662 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 1.1324 -2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 4.0774 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6564 3.0337 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 3.2051 -1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 2.1749 1.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2334 1.5617 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 3.2451 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 2.4786 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 0.6635 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8666 -0.2415 2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 -0.1134 1.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5013 -2.2089 1.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 -2.2809 -1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -0.5410 -1.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8281 -1.6815 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0701 -3.2812 0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 -1.6262 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7909 -1.7622 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1642 -2.6651 -0.8831 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 5 7 1 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 2 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END