HMDB0033542 RDKit 3D Gomphidic acid 39 41 0 0 0 0 0 0 0 0999 V2000 -2.5003 2.8961 0.8729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 2.2307 0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1763 2.6974 0.7912 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 1.6629 0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0458 1.7652 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6243 3.0392 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8956 3.9849 1.2029 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 3.1671 0.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 0.6458 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8311 0.2247 0.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7383 -0.7964 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6731 -1.4185 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5474 -2.4439 -0.7988 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7453 -1.0163 -1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8495 0.0163 -1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 0.5105 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3479 -0.7340 -0.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 0.8334 0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 0.0378 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 0.0218 0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7516 -0.6927 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7791 -0.7460 1.6832 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 -1.4031 -0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0902 -2.1313 -0.6365 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -1.4134 -1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1578 -2.1352 -2.5971 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -0.6731 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5865 3.0537 0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 0.7164 1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4566 -1.0798 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 -3.4147 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 -1.5154 -2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1379 0.3374 -1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -1.1255 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4753 0.5663 1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7291 -0.2184 2.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2657 -2.6666 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 -2.1116 -3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -0.6716 -1.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 4 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 2 0 18 2 1 0 27 19 1 0 15 9 1 0 8 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 20 35 1 0 22 36 1 0 24 37 1 0 26 38 1 0 27 39 1 0 M END