Mol:FL5FDCNF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.2652 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4971 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6921 -1.8182 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
16 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 1.1589 -1.0246
S SKP 8
ID FL5FDCNF0001
KNApSAcK_ID C00005100
NAME Velloquercetin 3-methyl ether
CAS_RN 148335-02-8
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES COC(C4=O)=C(Oc(c43)cc(O2)c(c3O)CC2C(C)=C)c(c1)cc(c(O)c1)O
M END
