Mol:FL5FCCNS0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3088 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
8 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
1 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4197 0.4428
S SKP 8
ID FL5FCCNS0001
KNApSAcK_ID C00004634
NAME Rhamnetin;3,5,3',4'-Tetrahydroxy-7-methoxyflavone;7-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1- benzopyran-4-one
CAS_RN 90-19-7
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(O)c2
M END
</pre>
