Mol:FL3FA9NP0008
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -0.8723 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -2.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -3.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 1.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 1.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1267 2.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 3.2264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8411 2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3838 2.3548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 0.8502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4386 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 0.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 1.5618 0.0000 C 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 20 23 1 0 0 0 0 23 32 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 6 0 0 0 24 26 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 20 31 1 6 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 S SKP 8 ID FL3FA9NP0008 KNApSAcK_ID C00013473 NAME Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one CAS_RN 70270-39-2 FORMULA C26H26O8 EXACTMASS 466.162767808 AVERAGEMASS 466.47983999999997 SMILES C(OC(C)=O)(C(OC(C)=O)C(C1)([H])c(c42)c(cc(c(C(=O)C=C(O4)c(c3)cccc3)2)OC)O1)(C)C M END
</pre>