Mol:FL5FGANS0005
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0578 -1.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6615 -0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1536 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0420 -2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4383 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9462 -1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5341 -2.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4225 -3.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8189 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3268 -2.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0047 -2.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7074 -3.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2089 -4.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0953 -4.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4801 -5.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9785 -4.7793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0922 -4.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7569 -1.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3664 -5.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5029 -2.2771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1931 -2.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3543 -1.0632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6306 -0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1886 -3.7013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9547 -4.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2250 -0.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -0.8071 0.0000 C 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
3 18 1 0 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
2 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -2.5983 -0.3996
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.5403 -0.6973
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.241 0.77
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.0494 1.0455
S SKP 8
ID FL5FGANS0005
KNApSAcK_ID C00004670
NAME Calycopterin;5,4'-Dihydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 481-52-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)ccc(O)c1
M END
</pre>
