44 49 0 0 1 0 0 0 0 0999 V2000 27.0375 -17.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.8255 -16.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2553 -16.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8255 -15.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6136 -17.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2553 -15.1891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.4614 -17.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0432 -14.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6193 -14.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4075 -16.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3958 -17.9743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4075 -15.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1956 -14.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4555 -14.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6673 -15.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4555 -13.0856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8851 -14.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6732 -12.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8851 -13.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9434 -15.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6732 -10.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1029 -12.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0361 -18.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2436 -19.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8197 -19.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2377 -20.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4555 -18.6909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8197 -20.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6019 -18.7550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4438 -21.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0375 -21.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6673 -19.4018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.6616 -20.8002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.0375 -22.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.8734 -21.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.9494 -18.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0912 -19.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8851 -17.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3090 -18.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1029 -16.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3149 -17.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.5210 -19.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1088 -15.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.5327 -16.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18 21 1 0 0 0 19 22 1 0 0 0 18 19 1 0 0 0 5 10 2 0 0 0 1 23 1 6 0 0 5 11 1 0 0 0 9 12 2 0 0 0 12 13 1 0 0 0 6 8 1 0 0 0 10 12 1 0 0 0 6 14 1 6 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 24 26 2 0 0 0 24 27 1 0 0 0 25 28 1 0 0 0 25 29 1 0 0 0 26 30 1 0 0 0 26 31 1 0 0 0 27 32 1 0 0 0 30 33 1 0 0 0 31 34 1 0 0 0 33 35 1 6 0 0 28 31 2 0 0 0 32 33 1 0 0 0 3 7 1 1 0 0 32 36 1 6 0 0 4 8 1 0 0 0 4 9 1 0 0 0 14 15 2 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 2 0 0 0 17 19 2 0 0 0 17 20 1 0 0 0 36 37 2 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 2 0 0 0 39 41 2 0 0 0 39 42 1 0 0 0 40 43 1 0 0 0 41 44 1 0 0 0 40 41 1 0 0 0 M END > CHEBI:5270 > Gallocatechin-(4alpha->8)-epigallocatechin > 2 > Gallocatechin-(4alpha->8)-epigallocatechin > C30H26O14 > 610.520 > 610.13226 > 0 > O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1 > InChI=1S/C30H26O14/c31-11-5-14(33)22-21(6-11)43-29(10-3-18(37)26(41)19(38)4-10)27(42)24(22)23-15(34)8-13(32)12-7-20(39)28(44-30(12)23)9-1-16(35)25(40)17(36)2-9/h1-6,8,20,24,27-29,31-42H,7H2/t20-,24+,27+,28-,29-/m1/s1 > RTEDIEITOBJPNI-MMKMIGCXSA-N > 68964-95-4 > C10227 > C00002923 $$$$