HMDB0035842 RDKit 3D (S)-Citronellal 29 28 0 0 0 0 0 0 0 0999 V2000 3.0844 -0.5764 -1.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 0.0649 0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8273 0.8649 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -0.0210 0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4041 -0.7635 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 0.2285 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9685 -0.3958 -0.5663 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5530 -1.4491 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 0.7336 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 1.5252 0.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5225 2.3736 0.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 0.2111 -1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1438 -0.9592 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -1.4341 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4684 1.2465 1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 1.7144 0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7395 0.2558 0.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 0.4911 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0937 -1.4841 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -1.3417 -0.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3331 1.0129 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.7139 0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7103 -0.8425 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1971 -2.4418 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -1.4545 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -1.3487 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4866 1.3740 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8835 0.3344 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 1.3675 0.8429 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 1 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 7 23 1 6 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 M END