HMDB0000711 RDKit 3D Hydroxyoctanoic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -4.5402 -0.1620 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 0.5225 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -0.2793 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8003 0.4066 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4365 -0.3243 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6596 0.4212 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 -0.2810 -0.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9925 -1.5644 0.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 0.5047 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 1.7115 -0.1981 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9367 -0.0827 0.9933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5643 -1.1658 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5002 -0.2523 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3974 0.4695 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 1.5594 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 0.5622 0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1429 -1.3080 -0.1726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 -0.3397 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 0.4620 0.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 1.4553 -0.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4359 -1.3022 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -0.5827 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 0.4802 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 1.4388 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 -0.2853 -1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0088 -2.2702 -0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9047 0.2059 1.0834 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 1 0 6 7 1 0 7 8 1 0 7 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 2 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 7 25 1 0 8 26 1 0 11 27 1 0 M END