Mol:FL5FDDNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0288 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0107 2.6397 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
8 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
16 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 1.5693 1.7424
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 -2.4197 0.482
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 0.3617 -0.9854
S SKP 8
ID FL5FDDNS0003
KNApSAcK_ID C00004646
NAME Pachypodol;5,4'-Dihydroxy-3,7,3'-trimethoxyflavone;Quercetin 3,3',7-trimethyl ether;5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 33708-72-4
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c21)(O)cc(OC)cc(OC(c(c3)cc(OC)c(O)c3)=C(C2=O)OC)1
M END
