HMDB0035078 RDKit 3D Geranial 27 26 0 0 0 0 0 0 0 0999 V2000 -2.4337 1.3550 0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -0.0157 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8521 -0.4355 -0.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 -0.8827 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3465 -0.4465 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 -0.6112 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.1945 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 -0.9116 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7513 0.7794 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 1.2170 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6861 2.1585 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3485 1.9725 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 1.8215 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 1.4052 1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 -1.1743 -1.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5382 -0.9537 -0.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4182 0.4014 -1.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -1.8988 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 0.5892 0.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -1.1723 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -0.0341 -1.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -1.6902 -0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.9088 1.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -0.3289 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6504 -1.0806 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 1.2858 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4973 0.7538 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 10 27 1 0 M END