HMDB0036264 RDKit 3D Quercetin 7-glucuronide 3-rhamnoside 72 76 0 0 0 0 0 0 0 0999 V2000 -4.9052 -2.9244 1.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0262 -1.7589 2.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0247 -0.8097 2.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0127 -0.2208 1.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 -1.0222 0.3401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9309 -0.7906 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 -0.0941 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2703 0.5005 -1.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 0.1838 -2.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3236 0.8425 -3.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 1.8358 -3.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5536 2.4678 -4.9245 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4503 2.1799 -3.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9024 3.1885 -4.5197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 1.5237 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0967 0.0807 -1.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7854 -0.3845 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -0.1643 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1067 -0.6521 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 -0.4533 0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1275 0.2223 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7375 1.3645 -0.2114 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 0.9333 0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8992 1.9866 1.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6737 1.7761 2.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 3.2228 1.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8495 0.4025 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -0.6316 0.8847 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5629 -0.0378 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 1.0099 -2.1615 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1764 -0.6160 -1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 -1.9226 -1.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -1.3766 1.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -1.6023 1.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8721 -2.3344 2.7720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3703 -1.1104 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -1.3121 0.9867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -1.9657 1.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3493 0.0531 0.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3616 1.3503 0.1307 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4227 0.1345 1.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6423 0.2563 1.1261 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4135 -1.1576 2.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 -0.9130 3.8128 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6096 -2.8796 0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8679 -3.0259 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -3.9018 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9356 -2.1574 3.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4387 0.7140 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0294 -0.6026 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3545 0.5385 -3.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 3.2180 -5.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 3.4417 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7009 1.8121 -2.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4228 0.4142 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 0.6350 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 0.0905 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 4.0593 1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6047 1.2181 0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6974 -0.9792 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2796 -0.8562 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6743 0.8294 -3.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -0.6341 -2.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 -2.0640 -0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -1.7945 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5485 -2.6982 3.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6697 -0.6572 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7888 1.3569 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2953 1.0213 2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5564 1.0239 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0717 -1.9199 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3065 -1.0779 4.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 7 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 23 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 19 33 2 0 33 34 1 0 34 35 1 0 34 36 2 0 36 37 1 0 37 38 2 0 4 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 2 1 0 37 6 1 0 15 8 1 0 36 17 1 0 31 21 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 4 49 1 0 9 50 1 0 10 51 1 0 12 52 1 0 14 53 1 0 15 54 1 0 18 55 1 0 21 56 1 0 23 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 30 62 1 0 31 63 1 0 32 64 1 0 33 65 1 0 35 66 1 0 39 67 1 0 40 68 1 0 41 69 1 0 42 70 1 0 43 71 1 0 44 72 1 0 M END