Mol:FL3FCBNM0001
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1776 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 1.0418 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
2 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.1618 1.4543
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.6775 0.77
S SKP 8
ID FL3FCBNM0001
KNApSAcK_ID C00003990
NAME 8-Desmethyleucalyptin;8-Demethyleucalyptin;5-Hydroxy-7,4'-dimethoxy-6-methylflavone;5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6-methyl-4H-1-benzopyran-4-one
CAS_RN 5689-38-3
FORMULA C18H16O5
EXACTMASS 312.099773622
AVERAGEMASS 312.31664
SMILES O(C(c(c3)ccc(OC)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)C)OC
M END
</pre>
