Mol:FL5FFANS0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0624 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9198 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2281 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 1.9452 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
15 19 1 0 0 0 0
1 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
6 24 1 0 0 0 0
24 25 1 0 0 0 0
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 -1.2281 1.0455
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 0.3617 -0.6973
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 -2.4197 0.77
S SKP 8
ID FL5FFANS0012
KNApSAcK_ID C00004619
NAME Herbacetin 3,7,8-trimethyl ether;5,4'-Dihydroxy-3,7,8-trimethoxyflavone;5-Hydroxy-2-(4-hydroxyphenyl)-3,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 6586-29-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)(OC)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2OC)1)O
M END
