HMDB0240490 RDKit 3D Catechol glucuronide 34 35 0 0 0 0 0 0 0 0999 V2000 -4.3821 -2.0394 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 -2.0041 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4107 -3.1689 0.3346 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 -0.7013 0.4276 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1236 -0.9116 0.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3196 0.2088 0.3969 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8453 0.0595 -0.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1382 -0.0520 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4983 -0.0317 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.1474 1.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 -0.2890 0.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4733 -0.3111 -0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1723 -0.1970 -0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8221 -0.2195 -2.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 1.4642 0.0333 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7956 1.9786 1.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.2256 -1.0862 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4571 0.7060 -2.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0894 0.2027 -0.6038 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2142 0.8425 -0.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9039 -3.6105 1.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 -0.2031 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 0.2359 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 0.0792 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0512 -0.1266 2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 -0.3821 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2817 -0.4245 -1.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5576 -0.3233 -2.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3687 2.2495 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2807 1.8227 1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5445 2.1853 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 1.4058 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3861 -0.4515 -1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 0.9285 0.8480 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 6 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 4 1 0 13 8 1 0 3 21 1 0 4 22 1 1 6 23 1 1 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 15 29 1 6 16 30 1 0 17 31 1 6 18 32 1 0 19 33 1 6 20 34 1 0 M END