Mol:FL1C28NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 33 0 0 0 0 0 0 0 0999 V2000 | + | 32 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3915 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3915 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3915 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3915 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9478 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9478 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5041 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5041 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5041 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5041 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9478 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9478 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2582 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2582 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8145 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8145 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7021 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7021 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1412 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1412 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7021 -1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7021 -1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1412 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1412 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5886 0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5886 0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0359 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0359 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0359 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0359 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5886 -0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5886 -0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5886 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5886 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5166 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5166 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0691 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0691 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9478 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9478 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7593 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7593 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3094 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3094 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8596 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8596 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4085 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4085 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9563 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9563 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9563 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9563 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5041 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5041 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7794 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7794 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5166 0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5166 0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9478 1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9478 1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8648 1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8648 1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5793 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5793 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -6.8057 3.0204 | + | M SBV 1 32 -6.8057 3.0204 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C28NI0002 | + | ID FL1C28NI0002 |
| − | KNApSAcK_ID C00007155 | + | KNApSAcK_ID C00007155 |
| − | NAME Homoflemingin | + | NAME Homoflemingin |
| − | CAS_RN 18296-15-6 | + | CAS_RN 18296-15-6 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c1O)(OC)cc(C(C=Cc(c2O)cc(cc2)O)=O)c(O)c1CC=C(CCC=C(C)C)C | + | SMILES c(c1O)(OC)cc(C(C=Cc(c2O)cc(cc2)O)=O)c(O)c1CC=C(CCC=C(C)C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 33 0 0 0 0 0 0 0 0999 V2000
3.3915 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3915 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9478 -0.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5041 -0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5041 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9478 0.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2582 -0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8145 -0.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7021 -0.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1412 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7021 -1.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1412 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 0.4148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0359 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 -0.5424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5886 -1.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 -0.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0691 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9478 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7593 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3094 -0.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8596 -0.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4085 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9563 -0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9563 -1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5041 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7794 -1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5166 0.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9478 1.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 1.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5793 0.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
19 21 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
21 28 1 0 0 0 0
14 29 1 0 0 0 0
6 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -6.8057 3.0204
S SKP 8
ID FL1C28NI0002
KNApSAcK_ID C00007155
NAME Homoflemingin
CAS_RN 18296-15-6
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c1O)(OC)cc(C(C=Cc(c2O)cc(cc2)O)=O)c(O)c1CC=C(CCC=C(C)C)C
M END
