HMDB0032152 RDKit 3D Acetaldehyde di-cis-3-hexenyl acetal 42 41 0 0 0 0 0 0 0 0999 V2000 4.7075 1.5279 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8432 0.8952 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 1.2630 1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 0.3208 1.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0309 -1.1211 1.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -1.6815 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -1.1274 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -1.7065 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -2.4824 -2.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5404 -0.7848 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -1.0702 -0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -0.0329 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 -0.3430 -0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6284 0.4844 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 1.8060 0.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 2.8157 0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 0.7745 -1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6664 1.9468 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 2.3330 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7452 1.3683 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -0.1625 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4569 2.3138 1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0521 0.6581 2.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.5554 2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9530 -1.5292 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 -2.7789 0.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9241 -1.3853 1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 -2.4516 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 -1.8257 -3.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0752 -3.3357 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 -2.8363 -2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -2.0566 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -1.0662 0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4386 0.9888 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0287 -0.1652 -2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 -1.3175 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5785 0.1277 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2178 2.1558 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0977 1.8930 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2201 2.8322 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 3.8182 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2072 2.4925 0.9639 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 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 16 42 1 0 M END