HMDB0030854 RDKit 3D (S)-Auraptenol 35 36 0 0 0 0 0 0 0 0999 V2000 -3.2299 0.5586 -1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 0.3643 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 0.4012 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 0.1149 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 -1.0938 0.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6309 0.1543 -0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 -0.0965 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 -1.3788 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2334 -2.4580 -0.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 -3.7854 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -1.5587 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 -0.4773 0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7727 0.7965 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5663 1.9029 0.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 3.1383 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 3.2920 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 4.4493 -0.5816 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1038 2.2245 -0.4249 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5297 1.0229 -0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2037 0.7340 -2.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 0.5302 -2.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2417 -0.4520 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2921 1.3808 1.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 0.2694 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 0.9075 0.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -1.5822 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 1.1329 -1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 -0.6427 -1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3644 -4.3783 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -4.2201 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 -3.8456 1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 -2.5570 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 -0.5847 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 1.7410 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 3.9958 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 7 1 0 19 13 2 0 1 20 1 0 1 21 1 0 3 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 M END