Mol:FL3FCANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 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 -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 | + | -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 | + | -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 -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 | + | -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 | + | -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 | + | -0.0006 -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 -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 | + | 0.7139 -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 | + | -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 | + | 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 | + | 2.1428 -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 0.0003 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 | + | 2.8573 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 | + | 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 | + | 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 | + | -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 | + | 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 | + | -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 | + | -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 | + | -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 | + | -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 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 | + | -2.1440 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 | + | -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 | + | -1.4307 2.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCANI0001 | + | ID FL3FCANI0001 |
| − | KNApSAcK_ID C00013410 | + | KNApSAcK_ID C00013410 |
| − | NAME Artonin U;5-hydroxy-2-(4-Hydroxyphenyl)-7-methoxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | 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 | + | CAS_RN 123549-17-7 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | 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 | + | 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 | M END | ||
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Latest revision as of 09:00, 14 March 2009
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
