HMDB0060021 RDKit 3D trans-isoeugenol-O-glucuronide 44 45 0 0 0 0 0 0 0 0999 V2000 6.8645 0.9569 -1.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 0.6527 -0.5797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4506 0.8721 -1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 0.6028 -1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 0.8641 -1.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7584 0.6285 -1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3476 0.1135 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9785 -0.0818 -0.2626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7343 -0.5500 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6167 0.4463 1.2331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 0.7999 0.2046 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1712 2.0634 0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 2.5014 -0.4199 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9416 2.7888 1.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4492 -0.3770 0.0417 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5379 -0.0516 -0.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 -1.4966 -0.5793 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3517 -2.6386 -0.7914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5113 -1.8087 0.4054 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6079 -2.6683 -0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -0.1432 0.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -0.6452 1.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 -0.9006 2.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 0.1042 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3011 1.6442 -0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8638 1.4766 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4552 0.0202 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2623 0.2633 0.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6863 1.2706 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 1.2599 -2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 0.8428 -2.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 -0.8322 1.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 0.8418 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 3.7887 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7261 -0.7492 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2385 0.3153 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 -1.0786 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0959 -3.1381 -1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 -2.3330 1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6013 -2.5523 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 -1.5819 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6978 -1.4055 3.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.0255 2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3881 -0.1110 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 7 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 24 4 1 0 19 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 3 29 1 0 5 30 1 0 6 31 1 0 9 32 1 0 11 33 1 6 14 34 1 0 15 35 1 1 16 36 1 0 17 37 1 6 18 38 1 0 19 39 1 1 20 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 M END