Mol:FL5FDINS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.2410 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1284 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0158 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5721 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1072 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5403 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6742 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8502 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7163 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4063 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3907 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8322 2.6396 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
14 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
16 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 1.3907 1.7424
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 -2.5983 0.482
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 1.8838 -0.022
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 0.183 -0.9854
S SKP 8
ID FL5FDINS0002
KNApSAcK_ID C00004775
NAME Myricetin 3,7,3',5'-tetramethyl ether
CAS_RN 74705-43-4
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c(O)3)c2cc(OC)c3)=O)OC)c1)O
M END
