Mol:FL3FCANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-0.7151 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7151 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 -1.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7139 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8573 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0006 -2.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5718 1.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8585 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 -2.4733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5718 -0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4295 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 1.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1440 2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8573 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 2.4747 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
1 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 2 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
19 21 1 0 0 0 0
3 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL3FCANI0001
KNApSAcK_ID C00013410
NAME Artonin U;5-hydroxy-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 123549-17-7
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES COc(c3)c(CC=C(C)C)c(c(c(O)3)2)OC(=CC(=O)2)c(c1)ccc(O)c1
M END
