HMDB0031855 RDKit 3D 5-Methyl-2-phenyl-2-hexenal 30 30 0 0 0 0 0 0 0 0999 V2000 -2.5710 -0.8617 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 0.4230 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1474 0.3160 1.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0681 0.9098 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 1.0683 -0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 0.6115 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 0.8563 -2.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2488 1.4677 -3.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 0.0417 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.8365 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 -1.3226 -0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 -0.9377 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9927 -0.0722 1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8477 0.4197 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1356 -0.7148 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -1.1802 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9497 -1.6442 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0732 1.1999 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 -0.7152 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 0.6749 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 0.9726 2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 1.7816 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5077 0.0550 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 1.6288 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 0.5007 -3.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -1.1699 -2.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1524 -2.0078 -1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -1.3151 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1854 0.2599 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 1.1633 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 14 30 1 0 M END