Mol:FL5FADGL0037
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -2.6883 -3.8001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -3.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 -3.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4004 -2.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 -3.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 -2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4919 -1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1124 -1.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5667 -2.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2786 -1.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8157 -0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 0.0649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 0.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 -0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -0.8610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7927 -1.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0609 -0.0732 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4485 -0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2970 -0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0469 -0.7446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4347 -0.0732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6892 -0.2861 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7879 -0.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 1.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9934 -3.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 -4.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 -0.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7541 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -1.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3729 -2.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 -1.5169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0713 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0329 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5521 -0.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 -0.6176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5905 -1.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5636 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 35 1 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 16 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 44 45 M SBL 1 1 48 M SMT 1 OCH3 M SVB 1 48 -0.3479 2.5073 S SKP 8 ID FL5FADGL0037 KNApSAcK_ID C00006008 NAME Isorhamnetin 3-(6''-galloylglucoside) CAS_RN 115651-94-0 FORMULA C29H26O16 EXACTMASS 630.122084784 AVERAGEMASS 630.5071399999999 SMILES [C@@H](OC(=C4c(c5)cc(OC)c(O)c5)C(=O)c(c(O4)3)c(cc(O)c3)O)(C2O)O[C@@H]([C@H](O)C2O)COC(=O)c(c1)cc(O)c(c(O)1)O M END