HMDB0000563 RDKit 3D D-Phenyllactic acid 22 22 0 0 0 0 0 0 0 0999 V2000 3.7578 -1.3663 -0.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1033 -0.3151 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 0.8945 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6902 -0.3628 -0.6594 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3532 -1.6991 -0.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8674 0.2410 0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5612 0.2909 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -0.7903 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -0.8577 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3453 0.1712 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6229 1.2614 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 1.3192 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 1.2929 0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 0.1727 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 -2.2287 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2271 1.2905 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.3095 1.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8249 -1.6501 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -1.7373 0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4199 0.1538 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1618 2.0641 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 2.1647 -0.7234 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 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 3 13 1 0 4 14 1 6 5 15 1 0 6 16 1 0 6 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 M END