Mol:FL5FEANS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.3370 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2484 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -4.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -4.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2530 -4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1226 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 -3.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 -5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0030 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8235 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.8071 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
1 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
2 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 -2.9555 -0.3996
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 2.241 1.4543
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 -2.5983 0.77
S SKP 8
ID FL5FEANS0017
KNApSAcK_ID C00004606
NAME Mikanin;3,5-Dihydroxy-4',6,7-trimethoxyflavone;3,5-Dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 4324-53-2
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)ccc(OC)c3)O)=O)c(c1OC)O
M END
