HMDB0000486 RDKit 3D 7-Hydroxyoctanoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.5784 -0.3255 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9347 -0.7354 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2266 0.1398 1.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4543 -0.9413 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 0.2772 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7635 -0.1115 -0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.9951 -0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0795 0.5340 -0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 0.0687 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0556 0.0484 1.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -0.4145 0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2156 0.6654 -1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 -0.1556 -0.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5323 -1.1142 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 -1.7374 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8065 0.8488 1.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0771 -1.2212 1.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1915 -1.7641 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.1433 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 0.5875 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 -0.9519 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 -0.4562 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.8284 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3916 1.4483 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 -0.3192 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7663 1.3617 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6627 0.3014 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 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 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 11 27 1 0 M END