Mol:FL5FECNS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.3441 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7125 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 -2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4787 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2072 -1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8169 -2.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3951 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1461 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8094 -2.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 -0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0748 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1531 -0.3375 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
-1.2818 0.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5329 -3.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 -3.9963 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
16 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 0.5403 -1.0246
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 -2.241 0.4428
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 -2.5983 -0.7269
S SKP 8
ID FL5FECNS0017
KNApSAcK_ID C00004692
NAME Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 14965-20-9
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O
M END
