HMDB0013200 RDKit 3D 5-Hydroxytryptophol glucuronide 45 47 0 0 0 0 0 0 0 0999 V2000 5.7319 -2.5323 0.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 -1.2227 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0157 -0.9610 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8192 0.4619 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7475 1.4525 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 2.5836 -0.5286 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 2.3628 -0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6995 3.1677 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 2.6304 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2033 1.3085 -0.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0567 0.8192 -0.5193 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5533 -0.4332 -0.2332 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3659 -0.4127 0.9162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6806 -0.1421 0.6135 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4169 0.3518 1.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7703 1.5136 2.2586 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3484 -1.3555 0.0026 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3623 -0.9705 -0.8595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2361 -2.1106 -0.7390 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4982 -2.8757 0.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -1.0816 -1.3818 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9700 -0.1855 -2.1744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 0.5403 -0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.0378 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -2.6573 1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0533 -0.9921 -0.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8511 -0.5530 1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -1.6319 -0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 -1.1874 1.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 1.3277 -0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 3.5173 -0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8656 4.2050 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 3.3089 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -1.1151 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 0.6718 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4049 -0.3911 2.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4493 0.6358 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1056 2.3201 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7874 -2.0219 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6644 -1.6910 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 -2.7465 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 -3.0035 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -1.6146 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4655 0.1554 -2.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1934 -0.4833 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 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 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 24 2 0 24 4 1 0 24 7 1 0 21 12 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 5 30 1 0 6 31 1 0 8 32 1 0 9 33 1 0 12 34 1 1 14 35 1 6 15 36 1 0 15 37 1 0 16 38 1 0 17 39 1 1 18 40 1 0 19 41 1 6 20 42 1 0 21 43 1 6 22 44 1 0 23 45 1 0 M END