Mol:FL5FFLNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-2.3203 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3203 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2077 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.1608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0951 -0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 0.1608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6514 -1.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0280 1.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 -1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7640 0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 1.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7382 1.3953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6776 0.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1777 1.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 0.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5949 0.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 -1.3028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -1.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3114 1.7188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7528 2.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1037 1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3963 2.3001 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
15 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
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 31 32
M SBL 5 1 33
M SMT 5 OCH3
M SVB 5 33 0.1037 1.4341
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 29 30
M SBL 4 1 31
M SMT 4 OCH3
M SVB 4 31 1.3114 1.7188
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 0.1037 -1.009
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 2.1617 1.1426
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.6776 0.4583
S SKP 8
ID FL5FFLNS0007
KNApSAcK_ID C00004944
NAME 5,8-Dihydroxy-3,7,2',3',4'-pentamethoxyflavone 8-acetate
CAS_RN 83159-17-5
FORMULA C22H22O10
EXACTMASS 446.121296924
AVERAGEMASS 446.40408
SMILES c(c(OC)3)c(O)c(c(c3OC(C)=O)2)C(=O)C(OC)=C(O2)c(c1)c(c(OC)c(c1)OC)OC
M END
