HMDB0037130 RDKit 3D Piperonyl isobutyrate 30 31 0 0 0 0 0 0 0 0999 V2000 -4.2791 -0.4796 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 0.5058 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 1.1534 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -0.1368 0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1035 0.2617 1.5696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -1.1935 -0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -1.8976 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -1.0188 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 -0.6923 -1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 0.1222 -1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2358 0.6420 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 0.3276 0.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7149 -0.4956 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7035 0.9785 1.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 1.3418 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 1.4778 -0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1360 -0.0490 0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5627 -0.8721 -0.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9113 -1.3271 1.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3107 1.2844 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3925 0.3723 -1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9173 1.9322 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 1.5932 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1668 -2.7062 -0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1901 -2.4482 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -1.0907 -2.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.3681 -2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -0.7255 1.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 2.2829 1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5726 0.4892 0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 13 8 1 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 13 28 1 0 15 29 1 0 15 30 1 0 M END