Mol:FL5FADGA0020
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.4745 -4.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1582 -4.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 -4.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -3.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 -3.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 -4.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1847 -2.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2282 -2.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8609 -2.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0806 -3.1543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6778 -2.8441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2736 -2.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0497 -1.4435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -0.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1152 -1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -1.6709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9183 -2.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2011 -1.7052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -0.3548 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2642 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0097 -0.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7597 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1474 -0.3548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4019 -0.5678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0752 -0.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -0.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 0.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -0.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0101 -3.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 -5.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3886 -1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 -1.6716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4775 -1.6716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8778 -0.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7974 -2.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 -1.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9161 -1.2129 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 1 0 0 0 0 33 35 2 0 0 0 0 16 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 OCH3 M SVB 1 39 0.3648 2.2257 S SKP 8 ID FL5FADGA0020 KNApSAcK_ID C00006003 NAME Isorhamnetin 3-(6''-acetylgalactoside) CAS_RN 67214-09-9 FORMULA C24H24O13 EXACTMASS 520.121690854 AVERAGEMASS 520.43956 SMILES O[C@@H]([C@H]4COC(C)=O)C(O)C(O)[C@@H](O4)OC(C1=O)=C(c(c3)cc(OC)c(c3)O)Oc(c2)c1c(O)cc2O M END
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