Mol:FL3FGCNS0004
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 0.7813 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
16 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
6 23 1 0 0 0 0
23 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 -2.241 0.4428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -1.0494 0.7182
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.5983 -0.7269
S SKP 8
ID FL3FGCNS0004
KNApSAcK_ID C00003927
NAME Sideritiflavone;5,3',4'-Trihydroxy-6,7,8-trimethoxyflavone;2-(3,4-Dihydroxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 70360-12-2
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(C(O2)=CC(c(c3O)c2c(c(c3OC)OC)OC)=O)(c1)cc(O)c(O)c1
M END
</pre>
