HMDB0006357 RDKit 3D cis-2-Methylaconitate 21 20 0 0 0 0 0 0 0 0999 V2000 -0.7361 -1.6688 -0.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 -0.2207 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 0.1819 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -0.7695 -0.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0256 1.3138 0.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 0.4695 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4539 0.0651 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9581 -1.2255 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -2.1916 0.8139 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -1.5215 -1.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 1.8952 0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 2.4335 0.5833 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 2.6629 0.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -2.0069 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -2.3126 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -1.7550 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 1.4580 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9972 0.7888 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 0.4824 1.3041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -1.2059 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5092 3.1270 0.2634 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 3 5 1 0 2 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 6 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 5 17 1 0 7 18 1 0 7 19 1 0 10 20 1 0 13 21 1 0 M END