Mol:FL5FFCNS0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1286 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6920 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1282 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9943 -1.7790 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
6 21 1 0 0 0 0
21 22 1 0 0 0 0
16 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 0.4611 -0.9854
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 1.6687 1.7424
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 -1.1286 0.7574
S SKP 8
ID FL5FFCNS0015
KNApSAcK_ID C00004735
NAME Gossypetin 3,8,3'-trimethyl ether;5,7,4'-Trihydroxy-3,8,3'-trimethoxyflavone;5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 14965-08-3
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c1OC)(O)cc(c(C2=O)c(OC(c(c3)cc(OC)c(O)c3)=C2OC)1)O
M END
