Mol:FL3F99NS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8158 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8158 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7032 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4094 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1469 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0994 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9655 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -2.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2595 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8158 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5303 1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5303 -0.7222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5222 -0.5952 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
18 19 1 0 0 0 0
16 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
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 -2.5303 -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 1.8158 1.7079
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 -1.696 -1.2954
S SKP 8
ID FL3F99NS0008
KNApSAcK_ID C00003814
NAME 5,6,3'-Trimethoxyflavone
CAS_RN 17182-55-7
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES c(c3OC)(OC)ccc(c13)OC(c(c2)cc(OC)cc2)=CC1=O
M END
