HMDB0031610 RDKit 3D Allyl phenoxyacetate 26 26 0 0 0 0 0 0 0 0999 V2000 3.5856 1.2429 0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 0.1305 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5652 -1.1079 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -0.8442 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2856 -1.8090 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6945 -2.9428 -0.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1536 -1.5166 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -0.1744 -0.0443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.3794 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 1.6800 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 2.2098 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1855 1.3984 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0031 0.0938 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6969 -0.4071 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0771 2.1490 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5085 1.2557 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3515 0.1619 0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 -1.9517 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9093 -1.4300 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 -2.2035 0.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5756 -1.6766 -1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 2.3213 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3214 3.2289 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 1.8144 0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8025 -0.5662 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 -1.4361 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 7 20 1 0 7 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END