HMDB0041384 RDKit 3D Luteolin 3'-(4''-acetylglucuronide) 56 59 0 0 0 0 0 0 0 0999 V2000 7.7648 1.2337 1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3083 1.0710 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 1.5601 1.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8014 0.3027 -0.0596 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4424 0.0785 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0459 -1.3777 -0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7786 -2.0812 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1289 -2.6600 1.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1616 -2.1049 0.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7032 -1.5084 0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9173 -0.5740 -0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 0.4684 0.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3088 0.8962 0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 0.2878 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 0.7301 0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 0.1198 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -0.9717 -0.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 -1.5405 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6750 -2.5383 -1.7503 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8276 -0.9964 -0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0648 -1.5079 -0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2204 -2.5804 -1.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2139 -0.8874 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0803 0.2038 0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2228 0.7990 1.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 0.6913 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6771 0.1112 0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5016 0.6015 0.6325 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 1.8367 1.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 2.4673 1.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 1.9865 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 2.6418 1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 0.0050 -1.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6213 -0.9433 -2.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9162 0.6185 -1.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8056 0.2078 -2.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 1.6442 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9513 2.0454 1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 0.3223 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9029 0.6136 0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -1.8479 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 -2.8774 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0254 -1.1171 -0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 -0.5663 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 -1.4245 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6636 -3.1883 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1691 -1.3133 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7257 1.5452 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7352 1.5477 1.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1216 2.1879 1.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 3.3241 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 3.4376 2.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 0.8207 -2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0646 -1.7433 -2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 1.7103 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4936 -0.5489 -3.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 15 29 2 0 29 30 1 0 30 31 2 0 31 32 1 0 11 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 5 1 0 31 13 1 0 28 16 1 0 27 20 1 0 1 37 1 0 1 38 1 0 1 39 1 0 5 40 1 0 6 41 1 0 9 42 1 0 11 43 1 0 14 44 1 0 17 45 1 0 22 46 1 0 23 47 1 0 25 48 1 0 26 49 1 0 29 50 1 0 30 51 1 0 32 52 1 0 33 53 1 0 34 54 1 0 35 55 1 0 36 56 1 0 M END