HMDB0131138 RDKit 3D 3-(3-hydroxy-4-methoxyphenyl)propanoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -4.3134 -0.2411 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -0.1253 1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8872 0.1158 0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 0.2620 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4461 0.5011 -1.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 0.5978 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9622 0.8767 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7078 -0.2742 -1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -1.3355 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6999 -2.3314 -1.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8287 -1.4114 0.7803 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4279 0.4465 1.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8217 0.2056 1.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0088 0.0572 2.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.1219 1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2731 -1.2422 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 0.5596 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 0.1828 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 0.6084 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 1.4276 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 1.5860 -1.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2358 -0.6618 -2.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 0.1436 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 -0.8782 1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 0.5303 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1786 0.1360 3.5136 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 9 10 2 0 9 11 1 0 6 12 1 0 12 13 2 0 13 14 1 0 13 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 8 23 1 0 11 24 1 0 12 25 1 0 14 26 1 0 M END