HMDB0000798 RDKit 3D Oenanthic ether 29 28 0 0 0 0 0 0 0 0999 V2000 -4.7811 -0.1582 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3852 -0.5099 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.2498 -0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -0.5893 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5235 0.2018 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8668 -0.2011 1.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 0.0017 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9521 -0.6221 -0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 0.9534 0.4203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9233 1.2810 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8421 0.1171 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 -0.9242 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4674 -0.1400 0.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7899 0.8707 -0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 -1.5869 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1298 0.1296 1.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 -0.9167 -1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4138 0.7901 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2944 -0.3651 -1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 -1.6679 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 0.0459 1.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 1.3078 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8694 -1.3062 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 0.2620 2.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6051 1.7600 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5465 2.0498 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 0.1688 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7599 0.1640 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -0.8663 -0.5366 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 7 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END