Mol:FL3FALNI0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.4323 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4323 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1401 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1401 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1401 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1401 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4256 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4256 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7111 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7111 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7178 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7178 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8545 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8545 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5757 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5757 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1468 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1468 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4256 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4256 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7111 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7111 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4256 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4256 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4256 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4256 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1401 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1401 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1401 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1401 -0.8250 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 |
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| − | 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 |
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| − | 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
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| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0022 | + | ID FL3FALNI0022 |
| − | KNApSAcK_ID C00013423 | + | KNApSAcK_ID C00013423 |
| − | NAME Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 502718-02-7 | + | CAS_RN 502718-02-7 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES c(c1O)c(cc(O2)c1C(C(CC=C(C)C)=C(c(c(OC)3)cc(O)c(OC)c3)2)=O)O | + | SMILES c(c1O)c(cc(O2)c1C(C(CC=C(C)C)=C(c(c(OC)3)cc(O)c(OC)c3)2)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.4323 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4323 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8612 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0033 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0033 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7178 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8545 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5757 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1468 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5757 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7111 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4256 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1401 -0.8250 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
15 21 1 0 0 0 0
12 22 1 0 0 0 0
18 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
22 29 1 0 0 0 0
S SKP 8
ID FL3FALNI0022
KNApSAcK_ID C00013423
NAME Artoindonesianin R;5,7-Dihydroxy-2-(5-hydroxy-2,4-dimethoxyphenyl)-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 502718-02-7
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES c(c1O)c(cc(O2)c1C(C(CC=C(C)C)=C(c(c(OC)3)cc(O)c(OC)c3)2)=O)O
M END
