HMDB0040712 RDKit 3D Humulene diepoxide A 41 43 0 0 0 0 0 0 0 0999 V2000 2.1747 -0.6938 1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 -0.2496 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6291 -0.2010 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 -1.0542 -1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 -1.7825 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -1.8585 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8608 -1.8279 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -3.1857 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1007 -0.9706 -1.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -0.6835 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 0.5399 0.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0029 1.7967 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 2.2800 0.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3464 3.7859 0.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 1.4642 1.1403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 1.4039 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8269 1.2672 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -0.5744 1.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -0.0826 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 -1.7788 1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0971 0.4897 0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7253 0.1963 -1.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 -1.2105 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9437 -1.1346 -2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 -2.3694 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 -1.2210 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 -2.9017 0.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 -3.8754 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -3.0722 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 -3.5857 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 -0.8819 -0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5325 0.3305 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 0.8322 1.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 1.6666 -1.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6505 2.6635 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 4.2346 -0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 3.9780 -0.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 4.1677 1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 0.7010 -0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3926 1.8079 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2115 1.5896 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 2 1 0 10 7 1 0 16 13 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 M END