Mol:FL1CUNNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4619 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4619 1.3051 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 3 7 2 0 0 0 0 | + | 3 7 2 0 0 0 0 |
| − | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 19 -6.1519 4.0370 | + | M SBV 1 19 -6.1519 4.0370 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 21 -5.7197 4.7907 | + | M SBV 2 21 -5.7197 4.7907 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CUNNS0001 | + | ID FL1CUNNS0001 |
| − | KNApSAcK_ID C00007167 | + | KNApSAcK_ID C00007167 |
| − | NAME Linderone | + | NAME Linderone |
| − | CAS_RN 1782-79-2 | + | CAS_RN 1782-79-2 |
| − | FORMULA C16H14O5 | + | FORMULA C16H14O5 |
| − | EXACTMASS 286.084123558 | + | EXACTMASS 286.084123558 |
| − | AVERAGEMASS 286.27936 | + | AVERAGEMASS 286.27936 |
| − | SMILES COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1 | + | SMILES COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 22 0 0 0 0 0 0 0 0999 V2000
-1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 1.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4619 1.3051 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 1 0 0 0 0
4 5 1 0 0 0 0
5 1 1 0 0 0 0
5 6 2 0 0 0 0
3 7 2 0 0 0 0
4 8 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
2 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 19
M SMT 1 ^OCH3
M SBV 1 19 -6.1519 4.0370
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 21
M SMT 2 ^OCH3
M SBV 2 21 -5.7197 4.7907
S SKP 8
ID FL1CUNNS0001
KNApSAcK_ID C00007167
NAME Linderone
CAS_RN 1782-79-2
FORMULA C16H14O5
EXACTMASS 286.084123558
AVERAGEMASS 286.27936
SMILES COC(C(=O)1)=C(OC)C(=O)C(=C(O)C=Cc(c2)cccc2)1
M END
