HMDB0033857 RDKit 3D Violet-leaf aldehyde 24 23 0 0 0 0 0 0 0 0999 V2000 -3.9199 -0.0122 0.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -0.7563 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7956 0.2504 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 0.4702 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.2420 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -0.9887 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 0.0441 -0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 0.2138 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 1.2175 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4757 1.3287 0.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -0.7233 0.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5587 0.6855 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3033 0.5470 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0745 -1.4752 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 -1.3031 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 0.8501 -1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0216 1.2391 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -0.8792 1.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 0.5904 1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 -1.6124 -0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.5659 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 0.7014 -1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -0.4517 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0945 1.8717 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 1 11 1 0 1 12 1 0 1 13 1 0 2 14 1 0 2 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 M END