HMDB0037544 RDKit 3D (±)-2-Dodecylcyclobutanone 47 47 0 0 0 0 0 0 0 0999 V2000 -5.8942 -0.3262 1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1744 -0.8345 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4668 0.0055 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -0.0222 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 0.8257 -1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 0.9109 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -0.4248 -1.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.2839 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7717 0.3101 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 0.4249 -0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7985 1.0115 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 1.2268 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 0.0144 1.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 -0.7501 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6565 -0.8244 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5414 0.3857 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2674 1.2928 1.2549 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9136 -0.6103 2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9567 0.7885 1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7035 -0.6582 2.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 -0.7081 0.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9394 -1.8978 0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7801 1.0597 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7236 -0.3753 -1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6661 -1.0924 -0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7261 0.3022 0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 1.8448 -1.3388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6845 0.4305 -2.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5096 1.5622 -2.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5932 1.4197 -0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4613 -1.0151 -0.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5145 -1.0069 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 0.4064 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -1.2676 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4534 -0.2749 0.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 1.3680 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 1.0533 -0.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 -0.6309 -0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 1.9935 1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 0.3939 2.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 1.9909 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4182 1.6460 2.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0171 -0.6223 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -1.7736 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8321 -0.2464 -0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -1.7418 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1714 -0.5730 -0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 13 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 M END