HMDB0031898 RDKit 3D Porric acid C 29 31 0 0 0 0 0 0 0 0999 V2000 -2.5673 -1.6549 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1741 -0.2329 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1694 0.6942 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8831 2.0407 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8530 3.0016 0.9765 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5810 2.4875 0.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5826 1.5774 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 1.7014 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 0.5405 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5638 0.1864 -0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 1.2169 -0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 2.4061 -0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 0.8735 -0.7868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -1.1387 -0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 -2.0938 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 -3.4165 -0.7971 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -1.7678 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 -0.4610 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 0.2128 0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1143 -2.3116 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3938 -2.0703 -0.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -1.7621 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 0.3668 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3496 3.4397 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 3.5273 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 0.5986 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -1.4491 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4813 -3.9775 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1516 -2.5354 -0.2855 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 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 2 1 0 19 7 2 0 18 9 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 5 24 1 0 6 25 1 0 13 26 1 0 14 27 1 0 16 28 1 0 17 29 1 0 M END