Mol:FL5FF8NS0007
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1382 2.4662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 0.8998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 1.7995 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
14 19 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
6 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 -1.2281 0.8998
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 -2.4197 0.6243
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 0.3617 -0.843
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 0.3617 1.6001
S SKP 8
ID FL5FF8NS0007
KNApSAcK_ID C00004720
NAME 5,5'-Dihydroxy-3,7,8,2'-tetramethoxyflavone
CAS_RN 117278-71-4
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(OC)ccc(O)c1
M END
</pre>
