Mol:FL5FECNS0029
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.6513 -0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3798 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3715 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6429 0.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7315 -0.4102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3631 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6346 0.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5199 -0.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2663 1.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3859 1.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7614 1.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4847 2.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1675 2.3537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5429 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 -1.4623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4441 2.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2366 0.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0558 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0936 -0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6331 0.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6293 -0.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8601 2.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6820 2.7609 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
1 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
15 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 2.241 1.127
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 0.183 -1.0246
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 -2.9555 -0.7269
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 -2.5983 0.4428
S SKP 8
ID FL5FECNS0029
KNApSAcK_ID C00004705
NAME Casticin;3,6,7,4'-Tetra-O-methyl-5,3'-dihydroxyflavone;Quercetagetin 3,6,7,4'-tetramethyl ether;Vitexicarpin;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 479-91-4
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(O)c(OC)c2)OC)=O
M END
