HMDB0010323 RDKit 3D Phenethylamine glucuronide 40 41 0 0 0 0 0 0 0 0999 V2000 4.3717 2.1048 1.7801 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 1.9180 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 3.0335 0.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 0.5578 1.0210 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4273 0.6189 0.4431 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9055 -0.6457 0.3601 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4984 -0.6585 0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 0.0528 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 -0.1104 -1.5772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 0.3858 -0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6727 1.6789 -0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5931 2.1575 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0759 1.3095 1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6132 0.0215 1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7011 -0.4455 0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -1.3801 -0.6943 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1175 -2.5626 -1.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0722 -1.6607 0.0160 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8840 -2.4251 -0.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6756 -0.2850 0.2700 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8052 -0.4059 1.0972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 3.1060 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5618 0.0823 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0566 -1.1602 1.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 -1.5995 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -0.1073 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 1.1573 -0.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3907 0.4232 -2.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 -1.2060 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2959 2.3418 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9178 3.1811 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7961 1.7343 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9984 -0.6182 2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3701 -1.4809 0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -0.7383 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 -2.3631 -1.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 -2.1366 1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3337 -3.2067 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9958 0.1285 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5451 -0.7973 0.5953 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 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 6 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 4 1 0 15 10 1 0 3 22 1 0 4 23 1 1 6 24 1 1 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 6 17 36 1 0 18 37 1 1 19 38 1 0 20 39 1 6 21 40 1 0 M END