HMDB0032085 RDKit 3D Koeniginequinone A 29 31 0 0 0 0 0 0 0 0999 V2000 5.2618 -0.1738 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4521 0.9832 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0659 0.8156 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1984 1.8853 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 1.7192 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2686 0.4686 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 0.0523 0.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -1.3274 0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -1.6875 0.3659 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 -0.6123 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 -0.4358 0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 -2.0289 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 -3.2837 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5337 -1.2838 0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5691 0.0334 0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8361 0.8118 0.2138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 0.7592 0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 2.0170 0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9387 -0.7763 0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2177 -0.7836 -0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 0.1421 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 2.8643 -0.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 2.5646 -0.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.6603 0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 -1.3229 0.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -1.7948 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 0.2357 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1212 1.0087 -0.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7004 1.8103 0.6751 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 2 0 8 9 1 0 9 10 1 0 10 11 2 0 8 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 11 3 1 0 10 6 1 0 17 7 1 0 1 19 1 0 1 20 1 0 1 21 1 0 4 22 1 0 5 23 1 0 9 24 1 0 11 25 1 0 14 26 1 0 16 27 1 0 16 28 1 0 16 29 1 0 M END