HMDB0032305 RDKit 3D N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide 40 41 0 0 0 0 0 0 0 0999 V2000 -3.9044 -1.0038 -1.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7651 -1.7529 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2995 -1.7674 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -0.3630 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 0.3936 1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 1.7979 1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6652 2.5614 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3334 -0.4915 0.2797 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -0.0412 -0.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2776 0.4965 -1.6811 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 -0.1652 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5424 -0.7384 0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 -0.8514 1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7683 -0.3679 0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 0.2145 -0.9963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0026 0.3131 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 0.5769 -1.6883 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 0.6230 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1615 -0.3554 0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8802 -1.2687 -2.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8376 0.0883 -1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1129 -1.3040 -2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0461 -2.8107 -0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -1.3190 0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -2.3211 -0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 -2.3484 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8907 0.1313 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -0.1791 2.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5417 0.4571 0.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 2.3460 0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 1.6816 1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 3.1687 1.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 3.3027 2.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 1.8919 3.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0946 -0.9349 1.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 -1.1198 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2554 -1.3043 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 0.7594 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5405 1.5994 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 0.4048 -1.1848 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 4 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 16 11 1 0 19 14 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 12 36 1 0 13 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 M END