Mol:FL5FFCNS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.1833 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 0.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 0.7651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 1.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0634 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9079 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7740 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3490 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9126 1.9107 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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 15 1 0 0 0 0
1 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
8 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
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 29
M SMT 3 OCH3
M SVB 3 29 -1.349 1.011
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 0.2522 -0.7106
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.0634 -1.0073
S SKP 8
ID FL5FFCNS0031
KNApSAcK_ID C00005058
NAME 7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 7741-42-6
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1
M END
