Mol:FLII3ANS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.2945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3339 -1.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8687 1.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 0.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3787 0.2564 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
6 18 1 0 0 0 0
18 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
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 SBV 1 22 -8.5186 4.9796
S SKP 8
ID FLII3ANS0002
KNApSAcK_ID C00009805
NAME Isopterofuran;6-Hydroxy-2-(4-hydroxy-2,3-dimethoxyphenyl)benzofuran
CAS_RN 74048-95-6
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COc(c(O)3)c(OC)c(cc3)c(c1)oc(c2)c(ccc(O)2)1
M END
