Mol:FL5FCCGA0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 45 49 0 0 0 0 0 0 0 0999 V2000 -3.7548 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6422 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5296 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5296 -0.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 -1.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -0.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 0.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 1.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 0.8617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 -1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9116 1.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 -1.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 1.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -0.9296 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2569 -1.4506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3216 -1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9036 -1.4506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2044 -0.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6259 -1.0949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5148 -1.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6259 -0.7120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0238 -0.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -0.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2436 -0.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8220 -0.3515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5258 -0.4235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9746 0.0602 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4685 -0.2069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6173 -0.6069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 -0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 -0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 0.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 1.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 -1.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 -2.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 0.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6647 1.0528 0.0000 O 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 8 1 0 0 0 0 4 3 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 20 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 30 31 1 0 0 0 0 34 39 1 0 0 0 0 1 40 1 0 0 0 0 40 41 1 0 0 0 0 25 42 1 0 0 0 0 42 43 1 0 0 0 0 35 44 1 0 0 0 0 44 45 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 44 45 M SBL 3 1 48 M SMT 3 CH2OH M SVB 3 48 3.3976 0.063 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 46 M SMT 2 CH2OH M SVB 2 46 1.2565 -1.4239 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 OCH3 M SVB 1 44 -4.112 0.3809 S SKP 8 ID FL5FCCGA0002 KNApSAcK_ID C00005510 NAME Rhamnetin 3-galactosyl-(1->4)-galactoside CAS_RN 59920-28-4 FORMULA C28H32O17 EXACTMASS 640.163949598 AVERAGEMASS 640.54348 SMILES c(c(OC)5)c(O)c(C(=O)2)c(c5)OC(=C2O[C@H](O3)C(O)C(O)[C@@H](O[C@@H](O4)[C@H](O)[C@@H]([C@H](O)C4CO)O)[C@H]3CO)c(c1)cc(c(c1)O)O M END
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