HMDB0041749 RDKit 3D Isoferuloyl C1-glucuronide 44 45 0 0 0 0 0 0 0 0999 V2000 8.1859 -0.4367 0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -0.8190 -0.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8905 -0.6107 0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3076 0.0013 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 0.1954 1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 -0.2150 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -0.0426 0.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9677 0.5208 1.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 0.6431 1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 1.1771 2.0394 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1998 0.1695 0.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5877 0.2846 -0.0551 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2523 -0.9191 -0.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 -0.7757 0.3054 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3656 -1.8882 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8523 -2.7694 -0.9019 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7235 -2.0188 0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1498 0.5613 0.0198 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2217 1.3727 1.1639 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 1.2979 -1.1141 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1823 1.0290 -2.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0452 1.1406 -1.2203 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3513 2.3192 -1.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6765 -0.8303 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 -1.0246 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 -1.6426 -2.0543 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 -0.9525 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1781 0.6656 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 -0.7877 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9428 0.3290 1.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 0.6825 2.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0514 -0.4000 -0.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 0.8932 2.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9761 0.7937 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4964 -0.8719 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0450 -1.6237 1.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2230 0.3610 -0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1482 0.7421 1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 2.3974 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9482 0.1490 -2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 0.5433 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 2.4648 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0246 -1.1606 -1.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 -1.9778 -2.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 6 24 1 0 24 25 2 0 25 26 1 0 25 3 1 0 22 12 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 12 34 1 1 14 35 1 1 17 36 1 0 18 37 1 6 19 38 1 0 20 39 1 1 21 40 1 0 22 41 1 6 23 42 1 0 24 43 1 0 26 44 1 0 M END