HMDB0037496 RDKit 3D Methyl (E)-2-octenoate 27 26 0 0 0 0 0 0 0 0999 V2000 -3.6126 -0.2367 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 0.8778 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3056 0.4463 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 -0.2339 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -0.6038 -1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 -1.4959 -0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -1.2981 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 -0.1153 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 0.8387 -0.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5582 -0.0127 0.9842 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 1.1388 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5337 -1.0414 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6399 0.1802 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5585 -0.7005 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 1.6014 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4840 1.3947 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -0.1988 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6969 1.3801 -0.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9109 -1.1895 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 0.4430 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6427 0.2505 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 -1.2631 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -2.4550 -0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 -2.1051 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 1.9757 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7101 1.3573 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2508 1.0651 0.3346 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 2 0 8 10 1 0 10 11 1 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 11 25 1 0 11 26 1 0 11 27 1 0 M END