Mol:FL5FECNS0025
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8838 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0315 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2074 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0734 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5902 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1893 2.6052 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
15 19 1 0 0 0 0
3 20 1 0 0 0 0
20 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
16 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 1.7479 1.7079
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 -2.5983 -0.7222
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 0.5403 -1.0199
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 -1.7639 -1.2954
S SKP 8
ID FL5FECNS0025
KNApSAcK_ID C00004701
NAME Quercetagetin 3,5,6,3'-tetramethyl ether
CAS_RN 58130-92-0
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c1OC)(O)cc(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)OC)=O)c1OC
M END
