HMDB0029484 RDKit 3D Isovitexin 2''-O-glucoside 72 76 0 0 0 0 0 0 0 0999 V2000 1.0929 2.0242 -2.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 1.5033 -1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 2.0990 -1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3029 1.5200 -0.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 2.1346 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9612 3.3073 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2569 3.8284 -1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 3.2049 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5154 3.7607 -0.3418 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9118 2.0296 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6385 1.5121 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0888 0.4127 -0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -0.1693 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -1.3473 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6374 -2.0092 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4953 -3.1880 1.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -1.5471 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 -2.3446 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8384 -2.8224 1.4155 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 -3.8645 1.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0337 -5.2187 1.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -5.4508 0.1852 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 -3.7379 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4331 -5.0379 0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0528 -2.9098 -0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -3.6286 -1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -1.7340 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -0.8585 0.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0117 0.3141 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3723 1.4592 0.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 2.5358 0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1312 3.8132 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 3.7325 -0.0777 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3364 2.7657 0.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7973 3.6974 -0.6222 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 1.4862 0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0213 1.1953 -1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 0.3839 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.8335 2.1524 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -0.3683 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4261 0.1251 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 0.3354 -0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.0175 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2156 3.8368 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4985 4.7686 -1.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 3.4646 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6881 1.5362 0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3953 0.5995 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6821 -1.7572 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -3.6290 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -3.2918 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 -3.8594 2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -5.2561 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7266 -6.0356 1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 -6.2355 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7791 -3.3769 1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 -5.4878 1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 -2.4787 -0.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 -3.0748 -2.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0668 -1.3120 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 0.4606 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 2.2809 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2581 4.2257 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 4.5734 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 3.8633 -1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 3.1841 1.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7157 3.4754 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1754 1.6296 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4232 0.3250 -1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9542 -0.5877 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5443 0.4806 2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6305 0.8834 -1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 4 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 17 40 1 0 40 41 1 0 40 42 2 0 42 2 1 0 11 5 1 0 42 13 1 0 27 18 1 0 38 29 1 0 3 43 1 0 6 44 1 0 7 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 14 49 1 0 16 50 1 0 18 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 23 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 27 60 1 0 29 61 1 0 31 62 1 0 32 63 1 0 32 64 1 0 33 65 1 0 34 66 1 0 35 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 41 72 1 0 M END