HMDB0035092 RDKit 3D cis-Citral 27 26 0 0 0 0 0 0 0 0999 V2000 -3.3718 -1.4850 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.5708 -0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 0.1952 0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1689 -0.4722 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 0.4089 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0782 -0.4106 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0817 0.5004 0.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7227 1.3340 1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 0.6019 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7365 -0.1570 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 0.0373 -1.4277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0052 -1.7267 -2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -2.4040 -0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3707 -1.0462 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1192 0.2076 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8409 -0.2023 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 1.2380 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 -1.0592 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 0.9787 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 1.1412 -1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 -0.9734 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7331 -1.1683 0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.3421 1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 1.4692 2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.7779 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9878 1.3069 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2066 -0.8638 -1.6228 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