HMDB0035786 RDKit 3D Valerenal 38 39 0 0 0 0 0 0 0 0999 V2000 0.9376 2.5137 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2067 1.6995 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 0.3945 -0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 -0.6900 0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -0.2139 0.9845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -0.3119 0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3987 -0.9372 -0.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0547 0.1752 1.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2539 0.0378 1.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -1.7553 0.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4777 -1.2262 1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -0.5978 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4475 -1.4783 -0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 -0.1309 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0219 1.0632 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 2.2403 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 2.1860 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9407 2.4935 1.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 3.5636 -0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 -1.1259 -0.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 0.2410 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9409 -0.3588 -1.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5043 -0.8645 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -2.0274 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8204 0.6286 2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -2.5791 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 -2.2046 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5571 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 -2.1076 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 0.3329 0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3429 -1.6136 -1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 -2.4967 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4571 -1.0670 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2471 -0.9801 -1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 1.0500 -1.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 1.0457 -2.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 3.0198 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1436 2.6388 -0.2138 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 1 0 5 6 2 0 6 7 1 0 6 8 1 0 8 9 2 0 4 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 2 1 0 14 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 M END