HMDB0035906 RDKit 3D Alantolactone 37 39 0 0 0 0 0 0 0 0999 V2000 3.0138 2.0727 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 0.7556 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7921 -0.1689 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8107 0.1051 0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 -1.4452 -0.0183 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -1.3321 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -1.2029 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -0.8660 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 -2.1247 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 -0.5864 1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 0.7671 1.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4977 1.0598 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 1.0266 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 0.5511 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4803 0.2649 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 0.6040 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8686 -0.0304 -1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3256 2.6969 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7835 2.5583 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 -2.2097 -1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -0.3704 1.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1097 -2.1066 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 -3.0331 0.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -2.2832 0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -2.0773 -1.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2219 -0.5829 2.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6939 -1.4083 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2936 0.7958 2.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 1.5404 1.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 2.0477 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3325 0.3190 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 2.0989 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 1.3834 -2.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 0.1628 -2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -0.2195 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 1.4525 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.2150 -2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 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 2 0 16 17 1 0 17 2 1 0 17 6 1 0 15 8 1 0 1 18 1 0 1 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 M END