Mol:FL5FCENS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.7145 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
1 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
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 2.0624 1.127
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.7769 0.4428
S SKP 8
ID FL5FCENS0001
KNApSAcK_ID C00004643
NAME Ombuin;3,5,3'-Trihydroxy-7,4'-dimethoxyflavone;4',7-Dimethylquercetin;3,5-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 529-40-8
FORMULA C17H14O7
EXACTMASS 330.073952802
AVERAGEMASS 330.28886
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(O)=C1c(c2)cc(O)c(OC)c2
M END
