HMDB0038907 RDKit 3D 3-Methylbutyl decanoate 47 46 0 0 0 0 0 0 0 0999 V2000 6.4976 1.1847 0.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 1.5252 -0.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9692 0.2328 -1.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 -0.6988 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -0.1284 0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -1.1819 1.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.7101 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -0.3971 1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2205 -1.5817 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4002 -1.0739 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3015 -0.9821 -1.6573 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5762 -0.7035 0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 -0.2158 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 0.1029 0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0143 0.6430 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7558 1.9027 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7408 -0.4067 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9804 0.7691 1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 0.3957 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 2.0943 0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8414 2.1841 -1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 2.0586 -0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1706 0.4670 -2.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 -0.2862 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1351 -0.9982 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 -1.6187 -1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3775 0.0698 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 0.8204 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5015 -2.1035 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.3271 1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.2056 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2264 -1.4571 2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4823 -0.0857 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4544 0.4588 0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5574 -1.9750 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 -2.4243 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5543 0.6662 -1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 -1.0387 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9213 -0.7714 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 0.9143 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 0.8545 1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7016 2.2335 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9246 1.7229 -1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 2.7165 -0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 -0.2310 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8264 -0.4365 -0.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2958 -1.3891 -0.4501 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 14 15 1 0 15 16 1 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END