HMDB0003072 RDKit 3D Quinic acid 25 25 0 0 0 0 0 0 0 0999 V2000 3.3327 -0.9372 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2597 -0.3652 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 0.5573 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.6316 -0.4497 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3610 -1.5795 -1.4182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5401 0.6106 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 1.3484 -0.4624 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3887 1.9325 -1.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.5958 0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7145 1.0632 0.5434 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3757 -0.8905 0.1163 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2696 -1.6211 0.8798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -1.2907 0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 0.8767 1.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -1.4713 -1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4304 1.3014 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 0.3794 -2.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 2.2388 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 2.6226 -1.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9782 0.6669 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0622 0.9207 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -1.0276 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 -1.9714 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 -0.9384 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -2.3900 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 6 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 13 4 1 0 3 14 1 0 5 15 1 0 6 16 1 0 6 17 1 0 7 18 1 1 8 19 1 0 9 20 1 1 10 21 1 0 11 22 1 6 12 23 1 0 13 24 1 0 13 25 1 0 M END