HMDB0303826 RDKit 3D Protocatechuic acid 4-glucoside 38 39 0 0 0 0 0 0 0 0999 V2000 6.5942 -1.2478 0.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 -0.3595 1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 0.7066 1.9155 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3789 -0.4161 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -1.4729 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -1.5255 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6829 -0.5264 0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -0.6731 -0.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 0.0181 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6388 -0.8420 0.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 -0.4841 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 0.7764 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5942 1.0955 1.1718 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 -0.3447 -0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 0.8694 -1.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -0.4305 -2.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -1.7351 -2.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2607 0.4102 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5740 1.7885 -1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 0.5086 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 1.5177 1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.5801 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8223 1.4209 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -2.2469 -0.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 -2.3758 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 0.9525 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.2914 0.9166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6793 1.6435 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9852 0.6110 2.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0912 0.2194 1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 -1.1415 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 1.0399 -2.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8136 -0.0148 -2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 -2.2569 -1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 0.2819 -2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 2.2414 -0.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 2.2733 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8603 1.4359 1.7879 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 2 0 5 6 1 0 6 7 2 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 1 0 20 21 1 0 20 22 2 0 22 4 1 0 18 9 1 0 3 23 1 0 5 24 1 0 6 25 1 0 9 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 21 37 1 0 22 38 1 0 M END