HMDB0240564 RDKit 3D Umbelliferone glucuronide 38 40 0 0 0 0 0 0 0 0999 V2000 -5.0081 1.4472 -2.2931 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8187 1.5038 -1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 2.7678 -1.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 0.2685 -1.5065 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8180 0.5738 -1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 -0.4463 -0.6175 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2478 0.0141 0.4293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1291 0.0918 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -0.2790 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -0.1701 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9531 0.3190 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3344 0.4154 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8686 0.9130 1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9765 1.2753 2.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4853 1.7281 4.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6843 1.1660 2.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 0.6929 1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 0.5916 1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -1.6907 -0.2370 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0997 -2.3844 -1.4052 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1286 -1.3525 0.4222 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9341 -0.6893 1.6351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 -0.5428 -0.5615 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7197 -1.3993 -1.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 3.2363 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 -0.3231 -2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3872 -0.7546 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5627 -0.6701 -1.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0142 -0.4707 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 0.1128 -0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 1.0049 2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1066 0.8988 2.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1617 -2.3257 0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.6083 -1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 -2.3087 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -0.9423 2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5746 0.1650 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4334 -1.4323 -2.2403 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 2 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 14 16 1 0 16 17 1 0 17 18 2 0 6 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 4 1 0 18 8 1 0 17 11 1 0 3 25 1 0 4 26 1 6 6 27 1 6 9 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 18 32 1 0 19 33 1 1 20 34 1 0 21 35 1 1 22 36 1 0 23 37 1 1 24 38 1 0 M END