Mol:FL5FFCNS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6716 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5377 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1487 1.6178 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
8 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
6 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 -1.5853 0.7182
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 -2.7769 0.4428
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 2.0624 1.127
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 0.0044 -1.0246
S SKP 8
ID FL5FFCNS0018
KNApSAcK_ID C00004738
NAME Gossypetin 3,7,8,4'-tetramethyl ether;5,3'-Dihydroxy-3,7,8,4'-tetramethoxyflavone;5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 4670-37-5
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)cc(O)c(OC)c3)=C2OC)1)O
M END
