HMDB0036811 RDKit 3D Isopimaric acid 52 54 0 0 0 0 0 0 0 0999 V2000 4.8415 0.6147 -0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 0.1834 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -0.1016 0.9051 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4982 -0.8922 2.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7075 1.2158 1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 0.9770 1.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 0.6992 0.4086 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2526 -0.3044 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6128 -0.6193 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.0072 -1.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5418 0.3441 -0.7462 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9456 -0.1824 -0.7943 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0496 -1.6619 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5421 0.4412 -2.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9944 -0.1858 -2.9877 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5870 1.8253 -2.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 0.2440 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0694 0.4489 1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6596 0.9002 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8681 0.1113 0.5948 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7653 -1.3232 0.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5455 -0.8840 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8045 0.8267 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9650 0.7605 -1.5098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5421 0.0399 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -1.6863 2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5218 -1.3616 2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 -0.2436 3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 1.8564 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 1.6232 2.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 0.1931 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 1.9581 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 1.6311 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0993 -1.3414 -2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -0.7148 -2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4471 0.8855 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 1.4724 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0509 -1.8481 -1.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0956 -2.2405 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -2.1062 -1.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 2.3876 -2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5597 -0.5371 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 1.1753 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 -0.4875 2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6354 1.2051 2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6404 1.9754 1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2058 0.8258 2.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -2.0339 0.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -1.6588 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1985 -1.4425 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.0373 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4061 -1.9194 0.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 3 2 1 6 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 6 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 1 8 22 1 0 22 3 1 0 20 7 1 0 20 11 1 0 1 23 1 0 1 24 1 0 2 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 6 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 6 13 38 1 0 13 39 1 0 13 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 M END