Mol:FL5FDDNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.2652 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 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
15 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
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
8 26 1 0 0 0 0
26 27 1 0 0 0 0
16 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 31
M SMT 2 OCH3
M SVB 2 31 2.3665 1.7424
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SVB 1 29 1.1589 -0.9854
S SKP 8
ID FL5FDDNF0001
KNApSAcK_ID C00005102
NAME Velloquercetin 3,3'-dimethyl ether
CAS_RN 139955-65-0
FORMULA C22H20O7
EXACTMASS 396.120902994
AVERAGEMASS 396.39
SMILES O=C(C(OC)=3)c(c(OC3c(c4)cc(OC)c(O)c4)1)c(O)c(C2)c(OC(C(C)=C)2)c1
M END
