Mol:FL5FDDNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.2652 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1453 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6920 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 2.6052 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
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 2.3665 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 1.1589 -1.0199
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.1453 -1.2954
S SKP 8
ID FL5FDDNF0002
KNApSAcK_ID C00005103
NAME Velloquercetin 3,5,3'-trimethyl ether
CAS_RN 148335-03-9
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES c(c4)(cc(OC)c(O)c4)C(O1)=C(C(=O)c(c3OC)c(cc(c32)OC(C(C)=C)C2)1)OC
M END
