HMDB0033776 RDKit 3D Apiole 30 31 0 0 0 0 0 0 0 0999 V2000 3.4945 1.5334 1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8268 0.4502 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0013 0.4760 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 0.2025 0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 1.2139 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6822 0.9553 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 1.9885 0.3335 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 3.2914 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0701 -0.3655 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1475 -1.3862 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -1.0923 0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -2.0850 0.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4963 -2.8427 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 -2.5476 0.8791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -2.2984 0.5738 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3361 -0.9001 0.8722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 2.4382 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 1.5660 2.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 -0.4221 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1731 1.4339 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4219 -0.3035 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0332 2.2155 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 3.3361 -0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0307 3.9351 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5247 3.6635 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6033 -2.7937 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -2.4499 -1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1402 -3.8813 -0.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8858 -2.8934 1.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 -2.4375 -0.5078 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 10 14 1 0 14 15 1 0 15 16 1 0 11 4 1 0 16 9 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 15 29 1 0 15 30 1 0 M END