HMDB0256914 RDKit 3D Pteroic acid 35 37 0 0 0 0 0 0 0 0999 V2000 -7.4074 -0.2066 0.3502 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0206 -0.1319 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5054 1.0334 -0.3687 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 1.1783 -0.6387 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 2.3756 -1.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 0.1147 -0.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0479 0.1543 -0.6898 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -0.8835 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.7259 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8966 -0.2528 0.4112 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3011 -0.0070 0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -0.2126 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4086 0.0297 -0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0612 0.4749 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 0.7196 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1076 1.1232 1.4912 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2122 0.4963 -0.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 0.6723 1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9265 0.4356 1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -2.0808 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -2.1633 0.2134 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8664 -1.1076 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1906 -1.1507 0.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8588 -1.1516 0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9946 0.6412 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 3.0597 -0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -1.6702 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3196 0.0816 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3557 -0.0851 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5879 -0.5670 -1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0338 -0.1280 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 1.2285 -1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7555 1.0229 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3482 0.6030 2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 -2.9203 0.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 2 0 8 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 2 1 0 22 6 1 0 19 11 1 0 1 24 1 0 1 25 1 0 5 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 20 35 1 0 M END