HMDB0030809 RDKit 3D (2R,3S)-Piscidic acid 30 30 0 0 0 0 0 0 0 0999 V2000 -2.3562 -0.4227 -2.5262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 0.3127 -1.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8032 0.9372 -1.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5641 0.5123 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 1.3688 0.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1512 -0.7730 0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 -1.6755 -0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -0.4454 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 0.1229 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 1.4745 0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5222 1.9816 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 1.1197 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 1.6122 -1.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -0.2242 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -0.7065 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -1.3998 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8415 -0.7579 1.8152 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 -2.6634 0.6042 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6802 0.5689 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6419 0.9565 -0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 1.2977 0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -2.4099 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2629 -1.4266 1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3804 0.1771 1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 2.1374 0.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 3.0360 -0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3755 0.9979 -1.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -0.9248 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 -1.7646 0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -3.0192 -0.3471 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 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 6 16 1 0 16 17 2 0 16 18 1 0 15 9 1 0 3 19 1 0 4 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 18 30 1 0 M END