HMDB0259248 RDKit 3D Trinexapac-ethyl 34 35 0 0 0 0 0 0 0 0999 V2000 4.9846 1.4250 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2981 1.1624 0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 0.8477 0.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -0.2072 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 -0.9957 -0.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9939 -0.4330 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4015 -0.6386 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0641 -0.7801 1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -0.7102 2.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6461 -1.0084 -0.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 -0.6522 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3399 -0.9234 -1.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8409 0.0118 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4838 1.2217 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4182 1.3360 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -1.6621 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2731 -2.2126 -2.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6891 -1.6312 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 0.5063 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 2.2119 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9916 1.8524 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 2.1171 1.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8674 0.4185 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 0.4490 -0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6951 0.1607 1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -1.6316 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 -1.7979 -1.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5604 -0.6978 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8839 1.3166 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5117 1.7385 0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 1.8158 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4816 1.5226 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1716 -1.5591 -2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9829 -2.5731 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 18 6 1 0 15 13 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 14 30 1 0 15 31 1 0 15 32 1 0 18 33 1 0 18 34 1 0 M END