Mol:FL1C1ANP0017
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.1434 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4289 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5724 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5724 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2868 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2868 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.7145 1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
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| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
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| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 10 28 1 0 0 0 0 | + | 10 28 1 0 0 0 0 |
| − | 11 29 2 0 0 0 0 | + | 11 29 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0017 | + | ID FL1C1ANP0017 |
| − | KNApSAcK_ID C00014465 | + | KNApSAcK_ID C00014465 |
| − | NAME Paratocarpin A;Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone | + | NAME Paratocarpin A;Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone |
| − | CAS_RN 161099-56-5 | + | CAS_RN 161099-56-5 |
| − | FORMULA C25H24O4 | + | FORMULA C25H24O4 |
| − | EXACTMASS 388.167459256 | + | EXACTMASS 388.167459256 |
| − | AVERAGEMASS 388.45565999999997 | + | AVERAGEMASS 388.45565999999997 |
| − | SMILES c(C(=O)C=Cc(c3)ccc(O4)c3C=CC4(C)C)(c1O)ccc(O2)c1C=CC2(C)C | + | SMILES c(C(=O)C=Cc(c3)ccc(O4)c3C=CC4(C)C)(c1O)ccc(O2)c1C=CC2(C)C |
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 32 0 0 0 0 0 0 0 0999 V2000
-4.2868 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2868 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8579 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5724 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7145 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 -0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2868 0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5724 0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0993 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5690 -1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5690 -1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0993 -0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3 4 1 0 0 0 0
4 5 2 0 0 0 0
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4 7 1 0 0 0 0
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9 10 2 0 0 0 0
10 5 1 0 0 0 0
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11 12 1 0 0 0 0
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13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
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19 14 1 0 0 0 0
17 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 18 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
2 26 1 0 0 0 0
2 27 1 0 0 0 0
10 28 1 0 0 0 0
11 29 2 0 0 0 0
S SKP 8
ID FL1C1ANP0017
KNApSAcK_ID C00014465
NAME Paratocarpin A;Bis(6'',6''-dimethylpyrano)[2'',3'':4',3'][2'',3'':4,3]-2'-hydroxychalcone
CAS_RN 161099-56-5
FORMULA C25H24O4
EXACTMASS 388.167459256
AVERAGEMASS 388.45565999999997
SMILES c(C(=O)C=Cc(c3)ccc(O4)c3C=CC4(C)C)(c1O)ccc(O2)c1C=CC2(C)C
M END
