Mol:FL3FFGNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.3126 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3126 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2000 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 0.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 -0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0874 0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 0.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6437 -1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6026 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0356 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4687 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 -0.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8689 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3126 -1.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7563 -1.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 -2.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1460 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4686 1.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3346 2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4783 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6699 0.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 1.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3190 2.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7604 3.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4686 0.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3347 -0.3441 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
2 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 3 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
1 28 1 0 0 0 0
28 29 1 0 0 0 0
16 30 1 0 0 0 0
30 31 1 0 0 0 0
14 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 32 33
M SBL 5 1 35
M SMT 5 OCH3
M SVB 5 35 1.8122 0.4496
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 33
M SMT 4 OCH3
M SVB 4 33 1.319 2.214
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 -2.6699 0.9536
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 -1.4783 1.229
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 2.1545 1.6292
S SKP 8
ID FL3FFGNP0001
KNApSAcK_ID C00004068
NAME 7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
CAS_RN 137319-33-6
FORMULA C25H26O8
EXACTMASS 454.162767808
AVERAGEMASS 454.46914
SMILES c(C(=O)1)(c34)c(c(OC)c(c(C=CC(O4)(C)C)3)OC)OC(c(c2)cc(OC)c(OC)c2OC)=C1
M END
