Mol:FL3FAAGS0051
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 44 48 0 0 0 0 0 0 0 0999 V2000 -0.2471 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7454 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 2.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2416 0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 3.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2339 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 3.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 0.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 0.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 0.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 0.3390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 0.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 0.7813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 0.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 0.0973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -0.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8714 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6792 0.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2457 1.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2457 1.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -2.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -2.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4227 -1.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -1.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 -1.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8847 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 -1.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -3.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -3.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7219 2.4578 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 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 15 18 1 0 0 0 0 19 3 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 20 21 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 1 0 0 0 39 34 1 1 0 0 0 36 40 1 0 0 0 0 28 38 1 0 0 0 0 39 41 1 0 0 0 0 35 42 1 0 0 0 0 34 43 1 0 0 0 0 24 19 1 0 0 0 0 1 44 1 0 0 0 0 S SKP 8 ID FL3FAAGS0051 KNApSAcK_ID C00004191 NAME Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside) CAS_RN 125300-52-9 FORMULA C29H32O15 EXACTMASS 620.174120354 AVERAGEMASS 620.55538 SMILES C(O)(C(O)1)C(OC(Oc(c5)c(C3=O)c(cc(O)5)OC(c(c4)ccc(c4)O)=C3)C1OC(C2O)OC(C)C(C2O)O)COC(C)=O M END
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