HMDB0037311 RDKit 3D Decyl propionate 41 40 0 0 0 0 0 0 0 0999 V2000 5.8160 0.4025 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 -0.0606 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7262 0.6759 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3961 0.3856 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -1.0624 0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6893 -1.3121 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6016 -0.5587 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -0.8523 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8619 -0.1134 0.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1372 -0.4948 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2513 0.1336 0.5614 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4938 -0.0740 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6439 -0.8227 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7151 0.5795 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1145 1.7717 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2366 -0.2804 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 1.4122 -0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8634 0.5264 -1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6804 -1.1380 0.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8215 0.2135 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6751 0.3976 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9705 1.7656 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 0.7161 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 1.0598 1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8342 -1.6265 0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 -1.4436 1.7308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -2.4108 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 -0.9893 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7986 0.5448 0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -0.7799 1.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -0.5538 -0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 -1.9396 0.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -0.3731 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 0.9973 0.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1876 -1.6076 0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 -0.1147 -1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5718 0.8987 1.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5887 -0.1199 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 2.2636 -0.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6838 2.5307 0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5893 1.4529 -1.2115 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 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 M END