HMDB0301697 RDKit 3D Kaempferol 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside 77 81 0 0 0 0 0 0 0 0999 V2000 8.6176 -3.0097 2.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4598 -2.1192 1.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 -2.4452 2.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -0.9994 1.1514 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 -0.1315 0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 -0.8708 0.0642 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4133 0.0499 -0.2359 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 -0.5498 -0.6914 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3764 0.2619 -1.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1033 0.5770 -0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.7199 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7828 2.7429 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 3.6851 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3058 4.7265 1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5159 4.8369 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3909 5.8701 1.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8337 3.9093 -0.2247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9743 2.8662 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4475 1.9562 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4445 1.1578 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 1.4467 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8077 0.5954 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0453 0.9560 0.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2512 0.2965 0.4394 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2850 1.0533 -0.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3858 0.2758 -0.3371 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1932 -0.7462 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9322 -0.3392 0.9140 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4788 0.7086 1.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8857 -1.0578 1.7281 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6250 -2.3333 1.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6089 -0.2357 1.8205 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5949 -1.1020 2.1812 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 -0.5695 -0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 -0.8641 -1.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 -2.0334 -1.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 -0.0186 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -0.2915 -1.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2404 -1.3379 -1.8556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 -1.7766 -1.5407 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4650 -2.9481 -0.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -1.6441 -2.2030 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8150 -0.6880 -3.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0324 -1.3291 -1.2342 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7754 -0.2695 -1.7655 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5734 -2.5914 1.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6310 -3.3416 3.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4258 -3.9405 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 0.2940 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8857 0.6962 0.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0518 -1.7011 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -0.9268 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 3.5778 1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0137 5.4350 2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 5.6392 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7916 4.0201 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3354 2.2338 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8455 2.3866 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1558 -0.6052 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1909 0.9699 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2142 -1.0842 -1.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7461 -0.2695 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6559 -1.6489 -1.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 -1.0392 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6394 0.4199 2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2746 -1.1802 2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 -2.3661 1.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 0.6028 2.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8871 -1.7805 2.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 -1.2765 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 -2.6508 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -1.8163 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5003 -3.1247 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -2.6444 -2.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6069 -0.6584 -3.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7276 -2.1858 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 0.5746 -1.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 11 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 22 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 2 0 8 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 6 1 0 38 10 1 0 18 12 1 0 37 20 1 0 32 24 1 0 1 46 1 0 1 47 1 0 1 48 1 0 5 49 1 0 5 50 1 0 6 51 1 1 8 52 1 1 13 53 1 0 14 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 21 58 1 0 24 59 1 6 26 60 1 6 27 61 1 0 27 62 1 0 27 63 1 0 28 64 1 6 29 65 1 0 30 66 1 1 31 67 1 0 32 68 1 1 33 69 1 0 34 70 1 0 36 71 1 0 40 72 1 6 41 73 1 0 42 74 1 6 43 75 1 0 44 76 1 1 45 77 1 0 M END