HMDB0059779 RDKit 3D 2,3-Methylene suberic acid 28 27 0 0 0 0 0 0 0 0999 V2000 0.0170 -2.5277 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8215 -1.7427 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -0.9457 1.4184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3481 0.3194 0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 0.1356 -0.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 1.5326 -0.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 1.5742 -2.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8123 0.5120 -2.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7139 2.8165 -2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8719 -0.7503 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 -0.5999 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 0.0524 1.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4629 0.7932 0.7039 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0933 0.1557 2.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 -2.8323 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0776 -3.3656 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -1.2480 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -1.6046 1.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 1.0740 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 0.8533 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 -0.3898 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6997 -0.4444 -1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 2.1132 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 2.0161 -1.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1967 3.5365 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3152 0.1012 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 -1.1677 -2.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 0.0328 3.1319 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 2 10 1 0 10 11 2 3 10 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 14 28 1 0 M END