Mol:FLII1ANS0003
From Metabolomics.JP
<pre>
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3339 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 0.7448 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 9 2 0 0 0 0
1 2 1 0 0 0 0
12 15 1 0 0 0 0
7 16 1 0 0 0 0
10 16 1 0 0 0 0
1 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
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 SBV 1 20 -8.5186 5.4679
S SKP 8
ID FLII1ANS0003
KNApSAcK_ID C00009801
NAME 6-Demethylvignafuran;6-Hydroxy-2-(4-hydroxy-2-methoxyphenyl)benzofuran
CAS_RN 74048-90-1
FORMULA C15H12O4
EXACTMASS 256.073558872
AVERAGEMASS 256.25338
SMILES COc(c3)c(ccc(O)3)c(c1)oc(c2)c(ccc(O)2)1
M END
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