Mol:FL5FGCNS0011
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0494 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -1.8182 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
2 18 1 0 0 0 0
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 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
8 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 27 28
M SBL 4 1 29
M SMT 4 OCH3
M SVB 4 29 0.1038 -1.0246
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 -2.6775 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 -1.4859 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 2.1618 1.127
S SKP 8
ID FL5FGCNS0011
KNApSAcK_ID C00004796
NAME 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone
CAS_RN 142846-75-1
FORMULA C19H18O9
EXACTMASS 390.095082174
AVERAGEMASS 390.34082
SMILES O(C(c(c3)cc(O)c(OC)c3)=1)c(c2OC)c(c(c(c2OC)O)O)C(C1OC)=O
M END
</pre>
