HMDB0000543 RDKit 3D Benzenebutanoic acid 24 24 0 0 0 0 0 0 0 0999 V2000 3.6107 0.5839 0.7066 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0636 0.2808 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7068 0.5798 -1.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 -0.3861 -0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 -0.5732 1.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -1.2580 1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0525 -0.4309 0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3046 -0.6262 -0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 0.1429 -1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 1.1131 -0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 1.2876 0.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 0.5361 1.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.0486 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 -1.3425 -0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 0.2539 -0.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -1.1488 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2629 0.4393 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -2.2812 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 -1.3372 2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 -1.3718 -1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4599 0.0033 -2.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6972 1.7108 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 2.0428 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 0.7328 2.2203 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 5 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 0 4 15 1 0 5 16 1 0 5 17 1 0 6 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 12 24 1 0 M END