HMDB0030998 RDKit 3D Ethyl decanoate 38 37 0 0 0 0 0 0 0 0999 V2000 5.2570 -0.7019 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0320 -0.3492 -0.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1039 0.8175 -1.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 0.5451 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -0.5791 -1.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7498 -0.8661 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 0.3279 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 -0.0097 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 1.1957 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6811 0.8559 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6217 1.7078 0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 -0.3890 1.2079 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2516 -0.6479 1.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3513 -0.4709 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3601 -1.2147 0.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 0.2736 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 -1.3269 0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0343 -0.0776 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -1.2135 -1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 1.1066 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6151 1.6999 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.2354 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 1.4748 -0.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7116 -1.4983 -1.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 -0.2455 -2.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 -1.1832 0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 -1.7692 -0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3161 0.5796 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 1.1507 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 -0.8474 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 -0.2739 1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 2.0266 0.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 1.4784 -1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -1.7323 2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4141 -0.0752 2.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1005 -1.2488 0.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8459 0.5242 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8569 -0.5475 -0.2378 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 9 32 1 0 9 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END