HMDB0036221 RDKit 3D [2-(Dimethoxymethyl)-1-heptenyl]benzene 42 42 0 0 0 0 0 0 0 0999 V2000 4.6243 -0.3540 -0.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 0.4766 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8234 1.0328 0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -0.0818 1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3952 -0.9990 0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 -0.3986 0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2817 0.7475 0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 1.3982 0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3444 1.8225 1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 2.4926 1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9978 2.7753 0.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 2.3623 -0.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0383 1.6861 -0.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -1.2102 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1973 -0.8882 -0.1957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 -1.9792 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5618 -1.1980 -1.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2678 -2.4362 -2.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9512 -0.4123 0.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 -1.3618 -1.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.0970 -1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 1.3755 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -0.0315 -1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 1.6223 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 1.6455 0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1006 0.3784 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 -0.7038 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2759 -1.9074 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 -1.4137 -0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 1.2628 1.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 1.6138 2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 2.8270 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 3.3107 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6218 2.5952 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 1.4027 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 -2.2847 -0.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9707 -1.7759 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 -2.8534 -0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 -2.2504 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -2.8964 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -2.3379 -3.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1384 -3.1503 -2.1520 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 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 6 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 13 8 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 7 30 1 0 9 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 18 40 1 0 18 41 1 0 18 42 1 0 M END