Mol:FL3FA9NC0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8424 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8424 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8424 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8424 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2861 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2861 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2702 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2702 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2702 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2702 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2861 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2861 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8265 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8265 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3828 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3828 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3828 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3828 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8265 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8265 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8265 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8265 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9389 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9389 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5059 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5059 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0729 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0729 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0729 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0729 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5059 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5059 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9389 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9389 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3987 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3987 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2861 -1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2861 -1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9571 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9571 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5156 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5156 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5156 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5156 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9571 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9571 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3987 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3987 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0729 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0729 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9729 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9729 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1996 1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1996 1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6996 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6996 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3930 -1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3930 -1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6785 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6785 -1.9036 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 19 3 1 0 0 0 0 | + | 19 3 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 32 -2.393 -1.4911 | + | M SVB 2 32 -2.393 -1.4911 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 30 -1.1996 1.2193 | + | M SVB 1 30 -1.1996 1.2193 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NC0002 | + | ID FL3FA9NC0002 |
| − | KNApSAcK_ID C00004069 | + | KNApSAcK_ID C00004069 |
| − | NAME Hoslundin | + | NAME Hoslundin |
| − | CAS_RN 135404-51-2 | + | CAS_RN 135404-51-2 |
| − | FORMULA C23H18O7 | + | FORMULA C23H18O7 |
| − | EXACTMASS 406.10525293 | + | EXACTMASS 406.10525293 |
| − | AVERAGEMASS 406.38482 | + | AVERAGEMASS 406.38482 |
| − | SMILES c(c3)(c2c(O)c(C(=C4)C(C(=C(C)O4)OC)=O)c3OC)OC(=CC(=O)2)c(c1)cccc1 | + | SMILES c(c3)(c2c(O)c(C(=C4)C(C(=C(C)O4)OC)=O)c3OC)OC(=CC(=O)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.8424 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8424 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2702 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 0.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 -0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3828 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 0.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8265 -0.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9389 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0729 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5059 1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9389 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3987 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2861 -1.0054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 -0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5156 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9571 -1.3303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3987 -1.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0729 -1.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9729 -1.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1996 1.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6996 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3930 -1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6785 -1.9036 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
4 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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
19 3 1 0 0 0 0
18 20 2 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 24 1 0 0 0 0
24 18 1 0 0 0 0
22 25 1 0 0 0 0
24 26 2 0 0 0 0
1 27 1 0 0 0 0
27 28 1 0 0 0 0
23 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SVB 2 32 -2.393 -1.4911
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SVB 1 30 -1.1996 1.2193
S SKP 8
ID FL3FA9NC0002
KNApSAcK_ID C00004069
NAME Hoslundin
CAS_RN 135404-51-2
FORMULA C23H18O7
EXACTMASS 406.10525293
AVERAGEMASS 406.38482
SMILES c(c3)(c2c(O)c(C(=C4)C(C(=C(C)O4)OC)=O)c3OC)OC(=CC(=O)2)c(c1)cccc1
M END
