HMDB0040503 RDKit 3D Pinostrobin 5-glucoside 55 58 0 0 0 0 0 0 0 0999 V2000 1.4604 5.2490 -1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 4.3662 -0.9283 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6028 3.0428 -0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8578 2.4853 -0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 1.1388 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 0.3785 -0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3775 0.8780 -0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 0.0202 -0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.2863 -0.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3494 -0.1378 1.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -0.2714 1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4207 1.0391 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8028 0.8759 0.7818 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1739 -1.3603 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6253 -2.4952 0.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9463 -1.7907 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -2.7463 -1.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3557 -0.5410 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3544 -0.9209 -2.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5166 2.2194 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -1.0426 0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 -1.6911 0.5829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 -1.6077 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4194 -0.6058 0.6002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7752 -1.1289 0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 -1.5584 1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5832 -2.0651 1.9818 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 -2.1333 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -1.7081 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5731 -1.2040 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3153 0.5823 -0.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 5.0862 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1347 6.3154 -0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 5.1010 -2.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7136 3.1284 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0285 1.3462 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 -0.5878 2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 1.7654 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0537 1.5230 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 0.8206 -0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9244 -0.9961 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5132 -2.3733 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 -2.2294 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7494 -3.4658 -1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0971 0.0390 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5187 -1.8425 -2.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 2.6409 -0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -1.7358 -1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -2.5797 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9729 -0.3967 1.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7195 -1.5334 2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9848 -2.4013 2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 -2.5316 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 -1.7553 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2611 -0.8903 -1.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 2 0 6 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 24 31 1 0 20 3 1 0 30 25 1 0 31 5 1 0 18 9 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 23 48 1 0 23 49 1 0 24 50 1 0 26 51 1 0 27 52 1 0 28 53 1 0 29 54 1 0 30 55 1 0 M END