HMDB0006528 RDKit 3D Docosapentaenoic acid (22n-3) 58 57 0 0 0 0 0 0 0 0999 V2000 -7.2264 1.0253 -2.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2179 0.3279 -2.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 1.3300 -1.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2908 1.4993 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0205 0.6852 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 -0.1760 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 -0.4524 2.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 0.0501 1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 -1.1076 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -1.2824 1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3171 -0.3522 2.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1361 -1.0694 3.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -1.1305 3.6038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4928 -0.4874 2.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4359 -1.5734 2.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7722 -1.7994 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -1.0799 0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5296 -0.4652 -0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 0.2618 -1.8838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 0.8954 -2.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 1.9147 -1.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9488 2.4956 -2.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7153 3.3755 -2.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 2.1249 -4.0395 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0448 1.4922 -2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6864 0.2243 -3.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7157 1.7458 -3.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6931 -0.4304 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 -0.2767 -2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 2.0093 -1.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6529 2.3278 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6305 1.4904 1.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9325 0.1855 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 -0.7065 2.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9078 -1.1628 2.9188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4705 0.7041 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 0.6513 0.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -1.7799 0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4216 -2.1364 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -0.0806 1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 0.6065 2.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6144 -1.6050 3.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6121 -1.7089 4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 0.2342 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0083 0.1325 3.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8395 -2.1795 3.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4798 -2.6348 1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -1.8315 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5812 -0.3038 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2067 -1.2801 -0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 0.2831 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5137 -0.4938 -2.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 1.0088 -1.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8326 0.1482 -3.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 1.3823 -3.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 1.3497 -1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 2.7345 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 1.8614 -4.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 24 58 1 0 M END