HMDB0034673 RDKit 3D Calamendiol 43 44 0 0 0 0 0 0 0 0999 V2000 2.1390 3.3456 -1.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7869 2.1876 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7368 1.1105 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1951 0.1831 0.9426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 -0.2838 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7266 -1.7873 0.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -2.3436 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9654 -2.3133 1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -2.2387 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1947 -1.4579 -0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 0.0339 -0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 0.1336 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5551 -0.4450 0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 1.5657 0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 0.4627 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 0.1316 -1.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3394 1.9266 -0.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4054 4.0922 -1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 3.5872 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 1.6268 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1465 0.5865 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 0.6773 1.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 -0.7108 0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.0558 1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -3.2233 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -1.6378 -1.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -2.7684 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0995 -3.3045 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 -2.3107 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -3.3079 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 -1.8467 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4278 -1.4992 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 0.5874 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 -0.4182 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5616 -1.5317 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6743 -0.0814 -0.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3961 -0.0150 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6123 1.6081 1.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 2.2691 0.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 1.8869 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 0.8271 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2239 2.1920 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 2.5598 -0.8293 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 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 17 2 1 0 15 5 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 M END