HMDB0032164 RDKit 3D Allyl valerate 24 23 0 0 0 0 0 0 0 0999 V2000 4.1067 -1.2789 -2.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9605 -0.6565 -2.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7849 -1.0849 -1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 0.0027 -1.1429 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2319 -0.1879 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 -1.3148 -0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3133 0.8677 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 0.3009 1.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1093 1.3311 2.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2779 0.6321 2.9452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9569 -0.9787 -3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 -2.0897 -1.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 0.1662 -3.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9751 -1.4938 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0844 -1.8783 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6076 1.7494 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4353 1.2481 1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -0.5636 1.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2235 -0.0813 0.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3978 1.7189 2.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 2.1517 1.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9391 0.1864 2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8343 1.3893 3.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8507 -0.1360 3.6262 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 1 0 1 11 1 0 1 12 1 0 2 13 1 0 3 14 1 0 3 15 1 0 7 16 1 0 7 17 1 0 8 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 M END