HMDB0244924 RDKit 3D 2-(3-Pentylphenyl)acetic acid 33 33 0 0 0 0 0 0 0 0999 V2000 4.7617 0.2508 1.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3659 -0.0278 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.1649 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 -0.1390 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8858 0.7579 -0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5037 0.5038 -0.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 1.1942 -1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 0.9977 -2.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0594 0.0859 -1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 -0.6313 -0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5214 -1.5994 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -0.9168 1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1125 0.3036 1.4654 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -1.5805 2.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -0.3911 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 1.3437 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7469 0.0334 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5406 -0.2875 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -1.0261 1.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7158 0.7088 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 1.2564 -0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0391 -0.4673 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6729 -1.2185 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 0.0025 -2.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 0.5371 0.8591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 1.8007 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3765 1.9164 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6192 1.5399 -3.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0698 -0.0714 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8850 -2.3744 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 -2.0429 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -1.5408 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 -0.9477 0.7844 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 2 0 15 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 9 29 1 0 11 30 1 0 11 31 1 0 14 32 1 0 15 33 1 0 M END