HMDB0040256 RDKit 3D (S)-2-(4-Methoxyphenoxy)propanoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -4.6990 0.3626 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 0.5912 -1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4799 0.4553 -0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 0.1016 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 -0.0247 0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3011 0.1789 -0.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 0.0540 -0.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 -0.2832 0.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -1.5663 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 0.8373 0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3158 1.8824 0.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2515 0.7418 1.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 0.5353 -1.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6288 0.6689 -2.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7347 0.7097 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 -0.7355 0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3403 0.9180 0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5761 -0.0795 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1534 -0.3023 1.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -0.4861 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2023 -1.4881 0.8364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -1.7064 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -2.4527 0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1330 1.2961 2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 0.7203 -2.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 0.9460 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 10 12 1 0 6 13 1 0 13 14 2 0 14 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 9 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END