HMDB0039247 RDKit 3D 2'-Hydroxygenistein 7-(6''-malonylglucoside) 60 63 0 0 0 0 0 0 0 0999 V2000 -7.1867 2.7909 1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2448 2.9834 0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7822 4.2087 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7721 1.9714 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 1.0078 -1.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8657 1.3145 -2.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5491 -0.1773 -0.5881 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 -1.1083 -0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -0.6186 -0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2225 -1.6332 -0.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1291 -1.4358 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9543 -2.0662 -0.5503 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -1.4824 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -0.2970 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7086 0.2961 0.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 1.4867 1.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 -0.3296 -0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0715 0.1984 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2465 1.2762 0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2191 -0.4173 -0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 0.1639 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1629 -0.0259 1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 0.4868 1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1129 1.1899 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3969 1.6873 0.4792 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4969 1.3883 -0.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2093 0.8656 -1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 1.0948 -2.4161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9909 -1.5958 -1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 -2.1016 -1.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 -1.5297 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4371 -2.0800 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4023 -1.8409 1.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5227 -3.2080 1.3272 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -1.0808 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 -1.9454 1.9924 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -0.0414 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2581 0.4476 1.0763 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0969 4.7352 0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1211 2.4005 -1.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6570 1.4434 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7367 -1.9704 -0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6741 -1.5757 -1.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9821 0.2090 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 -0.3256 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 0.2502 0.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0504 1.9532 1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6408 -0.5797 1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 0.3285 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5808 2.5987 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0193 1.9459 -1.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7028 0.7497 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 -2.1110 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 -3.0106 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 -1.5506 1.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -3.6599 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3308 -0.4781 2.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -2.8830 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 0.8165 0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 0.8708 1.9778 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 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 15 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 20 29 2 0 29 30 1 0 30 31 1 0 31 32 2 0 11 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 9 1 0 32 13 1 0 31 17 1 0 27 21 1 0 3 39 1 0 4 40 1 0 4 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 11 45 1 0 14 46 1 0 16 47 1 0 22 48 1 0 23 49 1 0 25 50 1 0 26 51 1 0 28 52 1 0 29 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 35 57 1 0 36 58 1 0 37 59 1 0 38 60 1 0 M END