Mol:FL2FFCNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.8426 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8008 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8426 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.1695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2800 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2800 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8300 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7613 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3635 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3217 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2957 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0615 0.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6418 1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
2 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
5 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 -1.0615 0.694
S SKP 8
ID FL2FFCNS0003
KNApSAcK_ID C00008447
NAME 8-Methoxyeriodictyol
CAS_RN 120216-93-5
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)CC1c(c2)cc(O)c(O)c2
M END
