HMDB0035207 RDKit 3D 2-Phenyl-4-pentenal 24 24 0 0 0 0 0 0 0 0999 V2000 -3.7312 -0.6695 0.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 0.1612 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.2846 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5523 0.6342 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7023 2.0261 -0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 2.6857 -0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 0.1168 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 0.0184 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7535 -0.4795 -1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -0.8886 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 -0.7875 1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -0.2920 1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 -1.6792 0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 -0.3529 0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 1.1441 -0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 -0.2776 -1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3282 -1.3312 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 0.6161 1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 2.4692 -0.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 0.3328 -1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -0.5521 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 -1.2758 0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.0984 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 -0.2354 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 2 15 1 0 3 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END