HMDB0240448 RDKit 3D 3,5-Dihydroxycinnamic acid glucuronide 41 42 0 0 0 0 0 0 0 0999 V2000 5.1603 3.0821 -0.6699 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 2.0306 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1581 2.0195 -0.4846 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 0.7878 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 0.7911 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -0.3812 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 -1.6141 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6393 -2.7010 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2567 -3.9187 0.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2768 -2.5536 0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -1.3173 0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 -1.2500 0.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 -0.1151 0.1426 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2248 -0.3668 -0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 0.7379 -1.2192 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4940 0.8511 -2.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.0065 -3.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 1.9111 -2.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1696 0.6299 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -0.6828 -0.2341 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5433 0.8809 1.1440 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4492 0.6368 2.1767 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2975 0.1062 1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -1.0831 2.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5365 -0.2761 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6859 1.7303 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -0.1350 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 1.7507 -0.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5428 -1.7524 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -4.5777 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 -3.4449 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 0.8041 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 1.6367 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3855 2.7238 -2.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9551 1.3614 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2678 -0.8632 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 1.9765 1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0726 1.0094 3.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 0.6943 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0584 -1.8353 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 0.7096 -0.0851 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 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 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 2 0 25 6 1 0 23 13 1 0 3 26 1 0 4 27 1 0 5 28 1 0 7 29 1 0 9 30 1 0 10 31 1 0 13 32 1 6 15 33 1 1 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 6 22 38 1 0 23 39 1 0 24 40 1 0 25 41 1 0 M END