HMDB0040827 RDKit 3D Scutellarein 7-glucuronosyl-(1->2)-glucuronide 71 75 0 0 0 0 0 0 0 0999 V2000 -5.1550 4.3376 0.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9123 3.1783 0.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3622 3.0224 -0.9702 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 2.0418 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8879 0.8954 0.5414 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 0.5028 0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 -0.5739 -0.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 -0.4949 -1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 -1.5073 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1274 -0.9214 -1.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -1.1572 -0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0573 -0.2871 -0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -0.4025 0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2466 0.4121 -0.1017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 0.3632 0.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4576 1.3283 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6801 1.3134 0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 2.2677 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 3.2394 -0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3327 4.1714 -0.7896 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 3.2545 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 2.3046 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6095 -0.6384 1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6015 -1.5500 1.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -2.4725 2.5444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3998 -1.4371 1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 -2.3278 1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -3.3600 2.1407 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -2.1633 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 -3.0825 0.8197 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3704 -2.1553 -2.4680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 -2.9480 -2.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -3.9006 -3.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2883 -3.8954 -4.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -4.8403 -4.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -1.9874 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1388 -2.0143 -4.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 -0.5538 -2.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3848 0.2195 -2.4276 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 0.0015 2.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0548 0.0236 2.5053 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 0.8655 3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6105 0.9044 4.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3686 2.2254 2.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0657 3.0853 3.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3595 3.1995 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3158 2.1078 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9591 1.3887 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0001 0.5126 -1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 -2.3390 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9734 0.5342 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9539 0.5964 1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6337 2.2802 0.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0323 4.0915 -1.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9049 4.0034 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2536 2.3374 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 -0.7460 1.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -3.6797 2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -3.8040 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6645 -3.5352 -1.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -5.2055 -3.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4637 -2.2406 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 -2.8523 -4.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5849 -0.1926 -3.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0572 -0.0876 -3.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -1.0394 2.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 0.7215 3.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1696 0.3936 3.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5314 1.7898 4.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4038 2.6658 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 3.8126 3.6212 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 15 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 9 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 32 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 6 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 44 4 1 0 38 8 1 0 29 11 1 0 26 13 2 0 22 16 1 0 3 46 1 0 4 47 1 0 6 48 1 0 8 49 1 0 9 50 1 0 12 51 1 0 17 52 1 0 18 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 28 58 1 0 30 59 1 0 32 60 1 0 35 61 1 0 36 62 1 0 37 63 1 0 38 64 1 0 39 65 1 0 40 66 1 0 41 67 1 0 42 68 1 0 43 69 1 0 44 70 1 0 45 71 1 0 M END