HMDB0038081 RDKit 3D 2-Octenyl butyrate 36 35 0 0 0 0 0 0 0 0999 V2000 -4.9387 1.1152 1.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9698 0.2592 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 0.8448 0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5439 0.0834 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4045 -1.2728 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5118 -2.2642 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -2.2500 -1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6182 -1.1172 -2.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0322 -0.8259 -2.0083 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 -0.4853 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -0.4156 0.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0081 -0.2090 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4350 0.1504 0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 1.3729 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 1.7284 1.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5034 1.7613 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6698 0.4434 1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2949 0.2661 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 -0.7888 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6373 1.9040 0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 0.8525 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6362 0.7322 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 0.1135 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -1.1754 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -1.6924 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5282 -3.2978 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 -3.2093 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 -1.4370 -3.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1734 -2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2376 0.5746 -1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -1.1691 -0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 -0.6777 1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5206 0.4024 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 1.1673 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 1.7853 2.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 2.1897 0.4482 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 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 7 27 1 0 8 28 1 0 8 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END