Mol:FL3FAAGS0038
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.0125 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5438 1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 1.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6564 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9028 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3358 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5831 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1034 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 -1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 -1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2244 -2.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4473 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1213 -0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 -0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4696 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5727 0.2874 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 1 18 1 0 0 0 0 15 19 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 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 20 1 0 0 0 0 26 30 1 0 0 0 0 30 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 34 35 1 0 0 0 0 34 36 2 0 0 0 0 32 37 2 0 0 0 0 20 3 1 0 0 0 0 S SKP 8 ID FL3FAAGS0038 KNApSAcK_ID C00004174 NAME Apigenin 5-(6''-malonylglucoside) CAS_RN 130733-28-7 FORMULA C24H22O13 EXACTMASS 518.10604079 AVERAGEMASS 518.42368 SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c12)cc(O)cc1OC(c(c3)ccc(c3)O)=CC2=O M END
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