Mol:FL5F2LNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.2561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.0713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.0285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1038 1.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 2.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.8254 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
14 18 1 0 0 0 0
2 19 1 0 0 0 0
1 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
17 24 1 0 0 0 0
24 25 1 0 0 0 0
15 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 2.1618 1.2379
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 0.1038 1.5294
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 0.1038 -0.9137
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 -2.6775 0.5537
S SKP 8
ID FL5F2LNS0001
KNApSAcK_ID C00004780
NAME 6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone
CAS_RN -
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES O(c23)C(=C(C(c2cc(O)c(OC)c3)=O)OC)c(c(OC)1)cc(O)c(OC)c1
M END
