Mol:FL2FACNI0021
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 0.0052 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 -1.3796 ...) |
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| Line 69: | Line 69: | ||
29 32 1 0 | 29 32 1 0 | ||
1 22 1 0 | 1 22 1 0 | ||
| − | S SKP | + | S SKP 7 |
ID FL2FACNI0021 | ID FL2FACNI0021 | ||
| + | NAME Prokinawan | ||
| + | CAS_RN 865852-11-5 | ||
FORMULA C25H30O7 | FORMULA C25H30O7 | ||
EXACTMASS 442.199153314 | EXACTMASS 442.199153314 | ||
| + | AVERAGEMASS | ||
| + | SMILES | ||
AVERAGEMASS 442.50149999999996 | AVERAGEMASS 442.50149999999996 | ||
SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1 | SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1 | ||
M END | M END | ||
Latest revision as of 17:40, 28 July 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
0.0052 -0.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.7089 0.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0052 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1169 -1.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.8210 -0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.9685 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2462 1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5243 1.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.9751 -1.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6897 -0.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9751 -2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5648 -1.7272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
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4 5 1 0
5 6 2 0
6 1 1 0
3 7 1 0
7 8 1 0
8 9 1 0
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10 4 1 0
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2 18 1 0
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22 23 1 0
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25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
29 31 1 0
29 32 1 0
1 22 1 0
S SKP 7
ID FL2FACNI0021
NAME Prokinawan
CAS_RN 865852-11-5
FORMULA C25H30O7
EXACTMASS 442.199153314
AVERAGEMASS
SMILES
AVERAGEMASS 442.50149999999996
SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)c(O)c(C(=O)2)c(c3)OC(C2)c(c1)cc(O)c(O)c1
M END
