Mol:FL3FFCNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.6397 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
15 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 1.6687 1.7424
S SKP 8
ID FL3FFCNS0003
KNApSAcK_ID C00003908
NAME Hypolaetin 3'-methyl ether
CAS_RN 5911-00-2
FORMULA C16H12O7
EXACTMASS 316.058302738
AVERAGEMASS 316.26228000000003
SMILES COc(c(O)3)cc(cc3)C(=C1)Oc(c(O)2)c(c(O)cc(O)2)C(=O)1
M END
