HMDB0033101 RDKit 3D Kaempferol 4'-glucoside 7-rhamnoside 72 76 0 0 0 0 0 0 0 0999 V2000 8.2626 3.2573 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1374 1.8057 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8763 1.3433 0.8213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4531 0.4622 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 0.4528 -0.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1941 -0.5511 0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -1.7895 0.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6319 -2.7799 0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0068 -4.0395 1.2470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -2.5000 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -3.4831 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -4.6305 1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0054 -3.1569 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9439 -4.1032 1.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 -1.8992 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7231 -1.4456 0.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -2.2131 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0962 -1.6834 0.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3175 -0.3878 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5441 0.2057 -0.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7697 -0.3851 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4481 0.2587 1.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6084 1.6208 0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1402 2.2998 2.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3344 3.6478 1.8131 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6943 1.6600 -0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8341 1.0869 0.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3218 0.8590 -1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5277 0.5185 -2.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6098 -0.4185 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7264 -0.6948 -2.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 0.3932 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 -0.1143 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6199 -0.9992 0.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -1.2375 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 -0.2704 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9834 0.6837 -1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1655 1.5978 -2.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3871 1.2120 -1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1586 0.5311 -2.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 0.9571 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3076 1.3227 -0.1719 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 3.8684 1.2751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5205 3.5798 -0.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 3.3600 -0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 1.7018 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8008 -0.5412 0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -2.0484 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9593 -4.3524 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6732 -5.0303 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7343 -3.2344 0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 -2.3299 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6666 -1.4345 0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6709 2.0818 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4518 2.1057 2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1131 1.7990 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0784 3.8807 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9028 2.6935 -0.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5067 0.3265 0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7278 1.4583 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8774 -0.3537 -1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3128 -1.2713 -1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0048 -1.4667 -2.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3200 1.4326 -0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.5187 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5039 0.7216 -0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9590 -0.2528 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 1.8621 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4513 2.2887 -1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1306 0.6331 -2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8119 -0.1228 0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8364 0.7326 0.4447 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 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 19 32 1 0 32 33 2 0 15 34 1 0 34 35 1 0 35 36 2 0 4 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 2 1 0 36 6 1 0 35 10 1 0 33 16 1 0 30 21 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 4 47 1 0 7 48 1 0 9 49 1 0 14 50 1 0 17 51 1 0 18 52 1 0 21 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 25 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 36 66 1 0 37 67 1 0 38 68 1 0 39 69 1 0 40 70 1 0 41 71 1 0 42 72 1 0 M END