HMDB0029470 RDKit 3D Isodillapiole 30 31 0 0 0 0 0 0 0 0999 V2000 4.5273 0.7435 -0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0851 1.0205 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 0.0538 -0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 0.3380 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 1.6172 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 1.8634 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8484 0.8083 0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 -0.5011 0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 -1.5807 0.9402 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 -2.2615 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -0.6763 0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4302 -1.9768 0.3694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4069 -2.6181 -0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 1.3404 1.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 2.7164 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 3.0298 0.7592 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 1.3367 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 1.0390 0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5903 -0.3291 -0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 2.0721 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5525 -0.9804 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 2.4898 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 -1.7884 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6351 -3.3298 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0203 -2.2782 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3696 -3.1615 -1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -3.3572 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -1.9016 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4804 2.9500 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6081 3.3216 1.5681 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 2 0 11 12 1 0 12 13 1 0 7 14 1 0 14 15 1 0 15 16 1 0 11 4 1 0 16 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 5 22 1 0 10 23 1 0 10 24 1 0 10 25 1 0 13 26 1 0 13 27 1 0 13 28 1 0 15 29 1 0 15 30 1 0 M END