Mol:FL5FECNS0030
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.9951 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5031 -0.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8994 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7879 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2799 0.4158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8836 0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1843 0.2226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0727 0.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5648 1.2681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1684 1.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8005 -0.0994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4533 1.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8381 2.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7244 2.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 3.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8411 2.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9548 2.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5985 -0.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4075 -1.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 3.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0596 4.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1002 3.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5037 4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1091 -1.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1330 1.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8066 1.5393 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 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
2 24 1 0 0 0 0
24 25 1 0 0 0 0
8 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 0.183 -0.9854
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 -2.9555 -0.6877
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 1.3907 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 2.241 1.1662
S SKP 8
ID FL5FECNS0030
KNApSAcK_ID C00004706
NAME Bonanzin;5,7-Dihydroxy-3,6,3',4'-tetramethoxyflavone;Quercetagetin 3,6,3',4'-tetramethyl ether;2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 35688-42-7
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)OC)=O
M END
