Mol:FL3FALNI0021
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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| − | 1.0684 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0684 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7828 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7828 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4973 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4973 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4973 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4973 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7828 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7828 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0684 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0684 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3606 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3606 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2118 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2118 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2185 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2185 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7895 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7895 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.4973 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4973 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 19 29 1 0 0 0 0 | + | 19 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNI0021 | + | ID FL3FALNI0021 |
| − | KNApSAcK_ID C00013422 | + | KNApSAcK_ID C00013422 |
| − | NAME Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 502718-00-5 | + | CAS_RN 502718-00-5 |
| − | FORMULA C22H22O7 | + | FORMULA C22H22O7 |
| − | EXACTMASS 398.136553058 | + | EXACTMASS 398.136553058 |
| − | AVERAGEMASS 398.40588 | + | AVERAGEMASS 398.40588 |
| − | SMILES C(C)(C)=CCC(C2=O)=C(Oc(c3)c2c(cc3OC)O)c(c1O)cc(O)c(OC)c1 | + | SMILES C(C)(C)=CCC(C2=O)=C(Oc(c3)c2c(cc3OC)O)c(c1O)cc(O)c(OC)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/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.0751 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0751 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5040 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5040 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3539 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4973 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4973 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3606 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2118 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2185 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7895 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9329 1.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0684 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7828 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4973 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9329 0.4125 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
19 29 1 0 0 0 0
S SKP 8
ID FL3FALNI0021
KNApSAcK_ID C00013422
NAME Artoindonesianin Q;2-(2,5-Dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 502718-00-5
FORMULA C22H22O7
EXACTMASS 398.136553058
AVERAGEMASS 398.40588
SMILES C(C)(C)=CCC(C2=O)=C(Oc(c3)c2c(cc3OC)O)c(c1O)cc(O)c(OC)c1
M END
