HMDB0032454 RDKit 3D 3-Octyl formate 29 28 0 0 0 0 0 0 0 0999 V2000 3.7126 -1.0448 -0.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9489 -0.3006 0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 0.0259 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7526 0.7570 1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 1.1541 0.8477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5524 0.0400 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9515 0.5672 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 1.4122 -1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1563 -0.9663 -0.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 -2.3314 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -2.5746 1.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 -2.1432 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4376 -0.6648 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 -0.8616 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 0.6178 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 -0.9755 1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 0.6815 -0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1588 -0.9243 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 1.6317 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 0.0938 2.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 1.8830 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 1.7420 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7934 -0.4752 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3853 1.1734 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -0.3208 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 1.4370 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 2.4672 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2067 1.0100 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8872 -3.1107 -0.6210 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 6 9 1 0 9 10 1 0 10 11 2 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 M END