Mol:FL3FGCNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8838 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -1.1394 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 ^OCH3
M SBV 1 25 -5.0485 2.5967
S SKP 8
ID FL3FGCNS0002
KNApSAcK_ID C00003925
NAME 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone
CAS_RN 90851-12-0
FORMULA C16H12O8
EXACTMASS 332.05321735999996
AVERAGEMASS 332.26168
SMILES COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cc(O)c(O)c2)c(O)1
M END
