HMDB0059989 RDKit 3D 5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide 47 49 0 0 0 0 0 0 0 0999 V2000 5.5666 2.4429 1.8838 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 1.3701 1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6943 0.6087 0.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1508 0.0227 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6698 0.1133 -0.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 -1.2450 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 -1.0145 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -0.7870 -1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.5672 -1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1716 -0.5789 -0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4954 -0.3741 0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 -0.1213 -0.6996 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5248 -1.0619 -0.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6077 -0.8994 0.0767 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3730 -1.4446 1.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2577 -1.9619 1.6929 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 -1.4140 2.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 0.4821 0.1559 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5363 0.5392 -0.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4666 1.4429 -0.7934 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8445 2.7425 -0.5054 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0065 1.2886 -0.4362 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1870 2.1717 -1.0974 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 -0.8072 1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 -0.8173 2.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 -1.0221 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4141 0.6275 0.8264 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9295 -0.2130 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 1.3070 0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4827 0.6718 -1.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5047 -1.0059 -0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 0.7720 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -1.9080 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 -1.7093 -1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -0.7733 -2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 -0.3890 -2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -0.1077 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4361 -1.5443 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1152 -1.3925 3.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0521 0.8845 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0897 0.1287 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 1.1867 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 3.3673 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9262 1.4638 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4307 1.7005 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.9784 3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 -1.1968 1.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 1 0 24 26 2 0 5 27 1 0 27 2 1 0 26 7 1 0 22 12 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 8 35 1 0 9 36 1 0 12 37 1 6 14 38 1 6 17 39 1 0 18 40 1 1 19 41 1 0 20 42 1 6 21 43 1 0 22 44 1 1 23 45 1 0 25 46 1 0 26 47 1 0 M END