Mol:FLNAA9NI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -0.6287 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4837 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -0.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 0.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -0.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -1.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5075 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -2.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 0.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 1.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 -1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 0.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -0.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2135 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -1.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6287 2.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0726 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 0.3454 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 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 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 2 18 1 0 0 0 0 18 19 1 0 0 0 0 10 20 1 0 0 0 0 1 21 1 0 0 0 0 22 23 1 0 0 0 0 23 9 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 19 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 22 29 1 0 0 0 0 S SKP 8 ID FLNAA9NI0004 KNApSAcK_ID C00010220 NAME Mesuol;5,7-Dihydroxy-8-(3-methylbut-2-enyl)-6-isobutyryl-4-phenylcoumarin CAS_RN 16981-20-7 FORMULA C24H24O5 EXACTMASS 392.162373878 AVERAGEMASS 392.44436 SMILES O=C(O3)C=C(c(c32)c(c(C(=O)C(C)C)c(O)c(CC=C(C)C)2)O)c(c1)cccc1 M END
</pre>