Mol:FL2FABGM0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 0.6415 0.0838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 0.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6447 -0.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 -1.1506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0741 -0.7349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7904 -1.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5030 -0.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4993 0.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1531 0.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 0.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5820 0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5789 1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 1.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 1.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -1.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3614 -1.8587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 -1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 1.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 0.6133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 -0.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 0.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8658 -0.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2784 0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2337 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3535 0.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9063 0.1577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 -0.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1658 1.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7692 1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7287 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2963 2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6887 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5134 2.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9457 2.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5533 1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9851 0.8513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7692 2.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9052 3.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4728 2.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 2.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 1.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0001 -1.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 -1.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4393 -2.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0104 -2.4788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3021 -2.8996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 -3.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -2.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6991 -0.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 0.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 1 18 1 0 0 0 0 4 19 1 0 0 0 0 3 20 1 0 0 0 0 2 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 14 32 1 0 0 0 0 32 33 1 0 0 0 0 25 18 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 39 40 1 0 0 0 0 38 41 1 0 0 0 0 37 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 45 28 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 46 1 0 0 0 0 51 52 1 0 0 0 0 50 53 1 0 0 0 0 49 54 1 0 0 0 0 47 55 1 0 0 0 0 55 56 2 0 0 0 0 55 29 1 0 0 0 0 S SKP 8 ID FL2FABGM0004 KNApSAcK_ID C00014357 NAME 5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-(4,6-digalloylglucoside);Matteucinol-7-O-[4'',6''-di-O-galloyl]-beta-D-glucopyranoside CAS_RN 374907-39-8 FORMULA C38H36O18 EXACTMASS 780.190164348 AVERAGEMASS 780.68164 SMILES c(c(O)6)c(cc(O)c6O)C(=O)OC(C4COC(c(c5)cc(O)c(c(O)5)O)=O)C(C(O)C(O4)Oc(c3C)c(C)c(c(c(O)3)2)OC(CC2=O)c(c1)ccc(OC)c1)O M END