HMDB0031181 RDKit 3D Homodihydrojasmone 33 33 0 0 0 0 0 0 0 0999 V2000 4.6060 0.0444 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2284 0.3256 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9022 -0.2476 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 0.3237 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4503 -0.2309 0.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 0.3603 -0.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9692 -0.1899 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 0.4914 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 1.9754 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1597 -0.4170 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4831 -1.7582 0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.6143 -0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -2.4724 -1.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8048 0.9870 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -0.6029 -1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5785 -0.5251 -1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9882 -0.0759 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1553 1.4377 0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7215 0.0560 1.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 -1.3490 0.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 1.4200 -0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 0.0628 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -0.1225 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -1.3426 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6684 1.4567 -0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4685 0.1302 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8548 2.2106 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0610 2.3604 0.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3056 2.4158 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7717 -0.1398 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7766 -0.4854 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1261 -2.6015 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0776 -1.8831 1.5745 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 7 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 M END