Mol:FL5FECNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0133 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -2.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -2.2954 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
15 19 1 0 0 0 0
16 20 1 0 0 0 0
6 21 1 0 0 0 0
8 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.241 0.4428
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.5983 -0.7269
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 0.5403 -1.0246
S SKP 8
ID FL5FECNM0001
KNApSAcK_ID C00004901
NAME 8-C-Methylquercetagetin 3,6,7-trimethyl ether;2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methyl-4H-1-benzopyran-4-one
CAS_RN 140899-09-8
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES O(C(c(c3)cc(O)c(O)c3)=1)c(c2C)c(c(c(c2OC)OC)O)C(C1OC)=O
M END
