Mol:FL3F99NS0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.0624 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7188 -0.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5848 -0.8504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7688 -0.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -3.1349 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
16 18 1 0 0 0 0
18 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 24 25
M SBL 4 1 26
M SMT 4 OCH3
M SVB 4 26 -1.9425 -1.2954
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 22 23
M SBL 3 1 24
M SMT 3 OCH3
M SVB 3 24 -2.7769 -0.7222
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 2.0624 -0.0565
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 1.5693 1.7079
S SKP 8
ID FL3F99NS0009
KNApSAcK_ID C00003858
NAME Cerrosillin;5,6,3',5'-tetramethoxyflavone;2-(3,5-Dimethoxyphenyl)-5,6-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 17182-56-8
FORMULA C19H18O6
EXACTMASS 342.110338308
AVERAGEMASS 342.34262
SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc(OC)2)=CC1=O
M END
