HMDB0304114 RDKit 3D 3-2-carboxyphenylcatechol 26 27 0 0 0 0 0 0 0 0999 V2000 2.2721 -2.2920 -1.9469 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 -1.6775 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0831 -2.1302 -1.5307 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7775 -0.6144 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1437 -0.3142 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5221 0.7462 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 1.4976 1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2599 1.1605 1.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8498 0.1092 0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 -0.2554 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -1.4163 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4133 -1.6434 0.7369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3178 -0.7536 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 0.4386 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7030 1.3383 -0.8813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4583 0.6539 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 1.8451 -0.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -0.8849 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5656 1.0202 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9751 2.3048 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5159 1.7448 1.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 -2.1057 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 -2.5896 1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3811 -0.9268 0.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 2.2101 -1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5509 2.5347 -1.2732 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 9 4 1 0 16 10 1 0 5 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 15 25 1 0 17 26 1 0 M CHG 1 3 -1 M END