HMDB0000555 RDKit 3D 3-Methyladipic acid 23 22 0 0 0 0 0 0 0 0999 V2000 -0.7067 -0.7098 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -0.5258 0.2927 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5272 0.6323 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8611 0.7422 -0.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -0.3626 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 -1.5837 0.1362 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1299 -0.1000 0.6316 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5504 -0.5636 1.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 0.4513 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 1.7050 0.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 0.1647 0.4211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0877 -1.7499 -1.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 0.0380 -1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 -0.5544 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 -1.4500 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7408 0.5909 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 1.5902 0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 1.6932 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 0.7861 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4507 0.8506 0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0519 -1.5706 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 -0.5241 2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1935 0.4498 -0.4909 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 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 1 3 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 11 23 1 0 M END