Mol:FL63FCGS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -0.1657 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1657 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -1.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -0.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3225 0.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3226 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3091 0.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6501 2.2960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 1.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -1.3882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3403 -2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 -2.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -2.1352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 -2.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 2.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 1.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3184 1.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 0.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 1.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6152 1.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 1.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5599 2.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8899 2.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 1.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5402 1.7492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 0.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 4 17 1 0 0 0 0 18 15 1 0 0 0 0 8 20 1 6 0 0 0 14 19 1 0 0 0 0 6 24 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 1 0 0 0 27 28 1 1 0 0 0 29 28 1 1 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 26 1 0 0 0 0 3 32 1 0 0 0 0 32 29 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 26 35 1 0 0 0 0 27 36 1 0 0 0 0 28 37 1 0 0 0 0 S SKP 8 ID FL63FCGS0001 KNApSAcK_ID C00013253 NAME Barbatoflavan;(2R,3R)-3-(Acetyloxy)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-hydroxy-5-methoxy-2H-1-benzopyran-8-yl beta-D-Glucopyranoside CAS_RN 342643-67-8 FORMULA C24H28O13 EXACTMASS 524.152990982 AVERAGEMASS 524.47132 SMILES C(C(C(O)1)OC(Oc(c4O)c(c2c(OC)c4)OC(c(c3)cc(c(c3)O)O)C(C2)OC(C)=O)C(C1O)O)O M END
</pre>