Mol:FL3FALNS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2769 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 -0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -0.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4956 2.4661 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
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
15 23 1 0 0 0 0
23 24 1 0 0 0 0
17 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 0.0044 1.6001
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 2.0624 1.3086
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.7052 0.1204
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.7769 0.6243
S SKP 8
ID FL3FALNS0009
KNApSAcK_ID C00004076
NAME Isoetin 7,2',4',5'-tetramethyl ether;5-Hdroxy-7,2',4',5'-tetramethoxyflavone;5-Hydroxy-7-methoxy-2-(2,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 159119-07-0
FORMULA C19H18O7
EXACTMASS 358.10525293
AVERAGEMASS 358.34202000000005
SMILES c(c(OC)1)(OC)cc(c(C(O2)=CC(c(c(O)3)c2cc(OC)c3)=O)c1)OC
M END
