HMDB0040625 RDKit 3D 3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone 71 74 0 0 0 0 0 0 0 0999 V2000 -1.3681 6.7752 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7511 5.4621 -0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 5.4276 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5976 4.3005 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 4.4464 -0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5935 5.5635 -0.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7688 3.3048 0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 2.1105 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0723 1.0007 0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 1.9627 0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3239 0.6744 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 0.9400 1.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9784 0.1575 1.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 0.7087 1.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3742 -0.1511 0.9821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 0.2885 1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 1.3865 1.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7798 -0.4955 0.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 0.0338 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0992 -0.6951 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 -0.1687 0.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9157 -1.9427 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0032 -2.6312 -0.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6327 -2.4386 -0.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3891 -3.6622 -1.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 -1.7328 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 0.0996 -0.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6385 -1.1213 -0.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3156 0.1437 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -0.6197 -2.1782 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1605 -0.3550 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -0.9557 -0.2937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -2.2790 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 -2.9015 0.6079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8803 -2.9622 -0.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 -2.4140 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0715 -3.1227 -1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1055 -2.5319 -1.9919 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1596 -4.4565 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2949 -5.2082 -1.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 -5.0491 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1945 -6.3826 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 -4.2970 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0646 3.0511 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 2.9652 0.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 6.7926 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5459 7.5470 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0218 7.0295 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9841 6.3349 -0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8323 3.4491 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0581 1.1607 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8706 0.3013 2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -0.8879 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4408 0.8204 2.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 1.6842 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 1.0165 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5521 0.7526 0.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9216 -2.2258 -0.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1178 -4.2073 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 -2.1222 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 0.9064 -0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -1.8132 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 1.1815 -1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 -0.0570 -2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6019 -1.1988 0.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9030 -1.3818 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9724 -3.0496 -2.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3481 -6.1673 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4197 -6.8362 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -4.7500 0.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 3.4923 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 2 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 20 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 13 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 2 0 10 44 2 0 44 45 1 0 44 4 1 0 31 11 1 0 43 35 1 0 26 18 1 0 1 46 1 0 1 47 1 0 1 48 1 0 6 49 1 0 7 50 1 0 9 51 1 0 11 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 19 56 1 0 21 57 1 0 23 58 1 0 25 59 1 0 26 60 1 0 27 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 36 66 1 0 38 67 1 0 40 68 1 0 42 69 1 0 43 70 1 0 45 71 1 0 M END