KEGG:C10220 3,5-Di-O-galloyl-4-O-digalloylquinic acid ISISHOST03240423252D 1 1.00000 0.00000 9262 57 61 0 1 0 999 V2000 18.8816 -12.7119 0.0000 O 0 0 0 0 0 0 0 0 0 19.7241 -13.1779 0.0000 C 0 0 0 0 0 0 0 0 0 19.7208 -14.0029 0.0000 C 0 0 0 0 0 0 0 0 0 20.4402 -12.7683 0.0000 O 0 0 0 0 0 0 0 0 0 19.0065 -14.4065 0.0000 C 0 0 0 0 0 0 0 0 0 19.0031 -15.2314 0.0000 C 0 0 0 0 0 0 0 0 0 19.7159 -15.6469 0.0000 C 0 0 0 0 0 0 0 0 0 20.4320 -15.2373 0.0000 C 0 0 0 0 0 0 0 0 0 20.4354 -14.4123 0.0000 C 0 0 0 0 0 0 0 0 0 15.3644 -12.3510 0.0000 C 0 0 0 0 0 0 0 0 0 14.6500 -12.7640 0.0000 C 0 0 0 0 0 0 0 0 0 15.3758 -11.5290 0.0000 O 0 0 0 0 0 0 0 0 0 13.9364 -12.3432 0.0000 C 0 0 0 0 0 0 0 0 0 14.6469 -13.5853 0.0000 C 0 0 0 0 0 0 0 0 0 13.2216 -12.7555 0.0000 C 0 0 0 0 0 0 0 0 0 13.9305 -13.9946 0.0000 C 0 0 0 0 0 0 0 0 0 13.2170 -13.5825 0.0000 C 0 0 0 0 0 0 0 0 0 12.5065 -12.3405 0.0000 O 0 0 0 0 0 0 0 0 0 13.9276 -14.8245 0.0000 O 0 0 0 0 0 0 0 0 0 12.5006 -13.9918 0.0000 O 0 0 0 0 0 0 0 0 0 16.0293 -12.7016 0.0000 O 0 0 0 0 0 0 0 0 0 17.4603 -11.0577 0.0000 C 0 0 2 0 0 0 0 0 0 16.7441 -11.4673 0.0000 C 0 0 0 0 0 0 0 0 0 16.7416 -12.2938 0.0000 C 0 0 2 0 0 0 0 0 0 17.4532 -12.7070 0.0000 C 0 0 2 0 0 0 0 0 0 18.1693 -12.2974 0.0000 C 0 0 1 0 0 0 0 0 0 18.1739 -11.4746 0.0000 C 0 0 0 0 0 0 0 0 0 17.4640 -10.2327 0.0000 C 0 0 0 0 0 0 0 0 0 17.4504 -13.5320 0.0000 O 0 0 0 0 0 0 0 0 0 16.7285 -10.7045 0.0000 O 0 0 0 0 0 0 0 0 0 16.7514 -9.8169 0.0000 O 0 0 0 0 0 0 0 0 0 18.1804 -9.8234 0.0000 O 0 0 0 0 0 0 0 0 0 16.7346 -13.9422 0.0000 C 0 0 0 0 0 0 0 0 0 16.7319 -14.7671 0.0000 C 0 0 0 0 0 0 0 0 0 16.0190 -15.1755 0.0000 C 0 0 0 0 0 0 0 0 0 16.0162 -16.0005 0.0000 C 0 0 0 0 0 0 0 0 0 16.7293 -16.4154 0.0000 C 0 0 0 0 0 0 0 0 0 17.4451 -16.0052 0.0000 C 0 0 0 0 0 0 0 0 0 17.4479 -15.1803 0.0000 C 0 0 0 0 0 0 0 0 0 16.0215 -13.5273 0.0000 O 0 0 0 0 0 0 0 0 0 18.1583 -16.4201 0.0000 O 0 0 0 0 0 0 0 0 0 16.7266 -17.2403 0.0000 O 0 0 0 0 0 0 0 0 0 15.3004 -16.4106 0.0000 O 0 0 0 0 0 0 0 0 0 18.2870 -15.6410 0.0000 O 0 0 0 0 0 0 0 0 0 19.7126 -16.4719 0.0000 O 0 0 0 0 0 0 0 0 0 21.1448 -15.6527 0.0000 O 0 0 0 0 0 0 0 0 0 14.5873 -15.9957 0.0000 C 0 0 0 0 0 0 0 0 0 13.8715 -16.4059 0.0000 C 0 0 0 0 0 0 0 0 0 14.5900 -15.1708 0.0000 O 0 0 0 0 0 0 0 0 0 13.1634 -15.9908 0.0000 C 0 0 0 0 0 0 0 0 0 12.4475 -16.4009 0.0000 C 0 0 0 0 0 0 0 0 0 12.4448 -17.2260 0.0000 C 0 0 0 0 0 0 0 0 0 13.1579 -17.6408 0.0000 C 0 0 0 0 0 0 0 0 0 13.8738 -17.2307 0.0000 C 0 0 0 0 0 0 0 0 0 13.1551 -18.4658 0.0000 O 0 0 0 0 0 0 0 0 0 11.7289 -17.6361 0.0000 O 0 0 0 0 0 0 0 0 0 11.7345 -15.9861 0.0000 O 0 0 0 0 0 0 0 0 0 22 28 1 1 0 0 9 3 1 0 0 0 25 29 1 6 0 0 24 21 1 6 0 0 2 3 1 0 0 0 22 30 1 6 0 0 21 10 1 0 0 0 28 31 1 0 0 0 10 11 1 0 0 0 28 32 2 0 0 0 10 12 2 0 0 0 29 33 1 0 0 0 11 13 1 0 0 0 33 34 1 0 0 0 11 14 2 0 0 0 13 15 2 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 34 35 2 0 0 0 35 36 1 0 0 0 36 37 2 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 39 34 1 0 0 0 16 19 1 0 0 0 33 40 2 0 0 0 17 20 1 0 0 0 38 41 1 0 0 0 16 17 2 0 0 0 37 42 1 0 0 0 1 2 1 0 0 0 36 43 1 0 0 0 2 4 2 0 0 0 6 44 1 0 0 0 7 45 1 0 0 0 3 5 2 0 0 0 8 46 1 0 0 0 5 6 1 0 0 0 43 47 1 0 0 0 6 7 2 0 0 0 47 48 1 0 0 0 7 8 1 0 0 0 47 49 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 48 50 2 0 0 0 50 51 1 0 0 0 51 52 2 0 0 0 52 53 1 0 0 0 53 54 2 0 0 0 54 48 1 0 0 0 27 22 1 0 0 0 53 55 1 0 0 0 26 1 1 1 0 0 52 56 1 0 0 0 8 9 2 0 0 0 51 57 1 0 0 0 M END