HMDB0094781 RDKit 3D 1,3-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -3.3235 1.2842 -0.5813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 0.0850 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 -0.6891 0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 -1.3664 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -0.5422 -0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4917 -0.3178 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4668 -0.8245 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -1.6230 1.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9574 -2.0013 2.5909 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8403 -0.4407 0.3157 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1878 0.7075 -0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6788 0.9328 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4354 0.2102 0.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 2.0107 -1.1163 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 1.6776 -0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 2.0974 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 1.0272 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 0.4913 0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.5512 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -1.4978 1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -0.0263 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -2.1961 -0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -1.9657 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 -0.0147 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 0.3881 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5661 -0.9940 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 0.4713 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 1.6183 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0525 2.0493 -1.5561 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 2 3 6 7 1 0 7 8 2 0 8 9 2 0 7 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 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 6 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END