Mol:FL5FFCGS0025
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 2.6028 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 1.9519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 1.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 0.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -0.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 -0.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4594 -1.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 0.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8883 -0.9356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 -1.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0318 1.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6028 2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9695 1.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 1.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5329 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5486 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 -2.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -2.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -2.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -1.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7551 -1.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 -0.9953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0318 -2.1146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -2.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 -2.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 19 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 29 20 1 0 0 0 0 S SKP 8 ID FL5FFCGS0025 KNApSAcK_ID C00013960 NAME Gossypetin 3,8-dimethyl ether 5-glucoside;2-(3,4-Dihydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 637774-69-7 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES c(c1O)(c(O3)c(C(=O)C(OC)=C3c(c4)ccc(c4O)O)c(OC(C(O)2)OC(CO)C(C2O)O)c1)OC M END
</pre>