HMDB0039929 RDKit 3D 2''-O-Acetylrutin 78 82 0 0 0 0 0 0 0 0999 V2000 -1.5561 -5.8047 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -4.6040 0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -4.4943 1.2887 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9066 -3.6171 -0.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 -2.4671 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7856 -1.1723 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1579 -1.1076 -0.7319 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 -0.5435 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 0.7448 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0144 1.6427 -1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3496 1.3515 -2.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 2.3470 -3.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 3.6717 -2.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 4.6727 -3.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 3.9948 -1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 5.3303 -1.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 3.0228 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3091 1.2106 0.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 0.4871 1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6682 1.0207 2.8039 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1855 0.2810 3.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0681 0.8246 4.7467 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7949 -1.0293 3.9793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9075 -1.6091 3.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5149 -2.9342 3.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4173 -0.8286 2.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5334 -1.3615 1.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1504 -2.5477 1.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0256 -0.0925 -0.6027 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 -0.1127 -1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 1.1513 -1.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.7499 -1.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 1.2775 -0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5659 2.1822 -0.9258 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7316 1.4748 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9476 2.1495 -1.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9546 1.2351 0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 0.3411 0.9392 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 0.5889 1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -0.7528 1.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 1.2949 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.8291 1.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 -1.3479 -1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -1.5686 -0.4008 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -2.4816 -1.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1692 -2.0871 -2.9286 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -5.8107 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -6.7068 0.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 -5.7472 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -2.5817 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8204 -1.1251 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1185 0.3229 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 2.0241 -3.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 4.4651 -4.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9908 6.0580 -2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 3.3601 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9484 2.0602 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4428 0.2917 5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2121 -1.6002 4.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -3.4727 3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 -0.2618 -2.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 0.9399 -2.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7373 1.8924 -2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 0.3177 -0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6413 0.4878 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7865 1.4311 -1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2376 3.0463 -0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 2.4320 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 2.1756 1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8764 0.8454 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8326 0.6998 2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 -1.1199 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 2.3627 1.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 0.4650 2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4134 -1.3353 -2.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8364 -2.2950 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2149 -3.3773 -2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.5560 -3.7718 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 9 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 2 0 6 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 30 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 5 1 0 27 8 1 0 41 33 1 0 17 10 1 0 26 19 1 0 1 47 1 0 1 48 1 0 1 49 1 0 5 50 1 0 6 51 1 0 11 52 1 0 12 53 1 0 14 54 1 0 16 55 1 0 17 56 1 0 20 57 1 0 22 58 1 0 23 59 1 0 25 60 1 0 30 61 1 0 31 62 1 0 31 63 1 0 33 64 1 0 35 65 1 0 36 66 1 0 36 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 41 73 1 0 42 74 1 0 43 75 1 0 44 76 1 0 45 77 1 0 46 78 1 0 M END