HMDB0041679 RDKit 3D 4-Hydroxy-(3',4'-dihydroxyphenyl)-valeric acid 30 30 0 0 0 0 0 0 0 0999 V2000 4.7204 2.0680 0.5456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8506 1.1520 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 0.9968 1.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 0.2986 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5445 -0.6701 -0.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.0236 -0.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 0.7900 -1.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1757 -1.1543 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 -0.6476 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 -0.2458 -1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2603 0.2286 -1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 0.3037 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0855 0.7684 0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -0.0994 1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5714 -0.0218 2.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7512 -0.5668 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3509 0.5533 2.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 -0.3217 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5615 0.9297 -1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -1.3741 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7978 -1.3184 0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1052 0.5387 0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0514 1.2131 -1.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 -1.9656 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 -1.5626 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.3015 -2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8828 0.5481 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6861 1.0725 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.3106 3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1658 -0.8772 1.9109 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 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 1 0 14 16 2 0 16 9 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 13 28 1 0 15 29 1 0 16 30 1 0 M END