HMDB0031469 RDKit 3D trans-Isoasarone 31 31 0 0 0 0 0 0 0 0999 V2000 3.6042 2.7396 0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 2.1361 0.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 1.0428 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7151 0.3815 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3978 0.8845 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 0.2487 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 0.7997 1.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 1.9341 1.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6831 -0.8932 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 -1.5574 -0.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0266 -2.7355 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -1.4161 -0.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.7734 -0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7361 -1.2734 -1.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 -2.4240 -2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 3.7913 0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 2.6636 1.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2696 2.2324 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4609 2.6226 1.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 0.6202 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 1.7867 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9852 2.8707 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5804 1.8064 2.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8451 2.1359 2.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -3.5383 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6248 -2.5222 -2.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0829 -3.0292 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -2.3182 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6945 -2.3874 -2.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7833 -3.3213 -1.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -2.5071 -2.8490 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 13 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 15 29 1 0 15 30 1 0 15 31 1 0 M END