HMDB0030818 RDKit 3D Scoparone 25 26 0 0 0 0 0 0 0 0999 V2000 -1.6464 3.1529 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9988 1.8021 -0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9805 0.8576 -0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 1.1972 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 0.2652 -0.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 0.6538 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 -0.3489 -0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 -1.6555 -0.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 -2.5783 -0.3703 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 -1.9500 -0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0082 -1.0432 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -1.3951 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -0.4576 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -0.7924 0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 -2.1391 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8476 3.4153 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2094 3.2124 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 3.8455 -0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 2.2442 -0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 1.6890 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6674 -0.0924 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5559 -2.4409 0.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -2.5658 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0706 -2.1739 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9974 -2.7021 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 3 1 0 11 5 2 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 12 22 1 0 15 23 1 0 15 24 1 0 15 25 1 0 M END