HMDB0240383 RDKit 3D Sinapic acid 4-O-glucuronide 48 49 0 0 0 0 0 0 0 0999 V2000 1.1190 -2.1741 -3.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -1.8625 -2.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -1.2603 -1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -0.9669 -1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2112 -0.3627 -0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6012 -0.0989 -0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 0.4660 0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 0.7057 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 0.3750 -0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6311 1.2952 1.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5444 -0.0620 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -0.3305 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 -0.0011 2.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3137 0.6112 3.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.9272 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8302 -1.1925 0.3404 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8572 -0.2499 0.0067 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5247 0.0317 1.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 1.0917 1.0508 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3912 1.1258 2.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 0.2623 3.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3504 2.1006 2.2147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1617 1.0534 -0.2517 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6264 1.9026 -1.2057 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2153 -0.3739 -0.7585 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9210 -1.1638 0.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 -0.8758 -0.9658 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3766 -0.5579 -2.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5793 -1.2596 -3.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 -2.9027 -3.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 -2.6304 -4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9441 -1.2270 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0468 -0.3831 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9479 0.7456 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6044 2.2593 1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0301 0.4053 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 -0.0667 3.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7356 0.7297 4.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 1.5544 3.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 0.6391 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 2.0334 1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 2.7142 3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2063 1.3694 -0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 2.7250 -1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7485 -0.3700 -1.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3632 -1.5695 0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8111 -1.9802 -0.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4873 -1.3478 -2.8561 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 15 3 1 0 27 17 1 0 1 29 1 0 1 30 1 0 1 31 1 0 4 32 1 0 6 33 1 0 7 34 1 0 10 35 1 0 11 36 1 0 14 37 1 0 14 38 1 0 14 39 1 0 17 40 1 6 19 41 1 6 22 42 1 0 23 43 1 1 24 44 1 0 25 45 1 6 26 46 1 0 27 47 1 6 28 48 1 0 M END