Mol:FL3FAKNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4610 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4610 1.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 1.8391 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
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
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 2.1618 1.1662
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 1.3115 1.7424
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 1.8046 -0.022
S SKP 8
ID FL3FAKNS0002
KNApSAcK_ID C00003916
NAME Tricetin 3',4',5'-trimethyl ether;5,7-Dihydroxy-3',4',5'-trimethoxyflavone;5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 18103-42-9
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES O(C(c(c3)cc(c(c(OC)3)OC)OC)=2)c(c1C(=O)C2)cc(O)cc1O
M END
