Mol:FL5FFCNS0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.2827 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1401 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8085 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6745 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0119 1.9452 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
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
1 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 -1.4484 1.0455
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 0.1527 -0.6761
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 -2.64 0.77
S SKP 8
ID FL5FFCNS0032
KNApSAcK_ID C00005060
NAME 5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 54087-33-1
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(c41)(OCO4)ccc(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)c1
M END
