HMDB0038895 RDKit 3D 7-Hexyl-2-oxepanone 36 36 0 0 0 0 0 0 0 0999 V2000 4.8825 0.8459 0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -0.4962 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -0.7221 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 0.2984 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 0.0124 -0.9534 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2496 0.0474 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -0.2428 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -0.2340 1.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2841 -0.9911 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3742 -0.0886 0.7553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2316 0.3601 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 1.1118 -0.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1442 2.2537 -1.4425 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 0.7296 -0.7235 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8814 1.5881 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 1.1363 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 0.7747 1.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 -0.5874 -0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -1.3080 0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 -0.5918 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 -1.7216 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7912 0.2975 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5427 1.3426 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3787 0.6946 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -1.0127 -1.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 1.0435 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 -0.6954 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 -1.2400 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 0.8170 1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 -0.6745 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6110 -1.4593 2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 -1.8038 0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5295 0.7703 1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3336 -0.6837 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1132 0.9918 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2626 -0.5628 -1.3165 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 2 0 12 14 1 0 14 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 M END