Mol:FL3F19NF0006
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7652 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7652 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3783 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3783 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3782 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3782 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6512 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6512 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4716 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4716 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8072 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8072 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3156 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3156 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9287 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9287 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6432 1.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6432 1.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2918 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2918 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5031 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5031 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6258 1.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6258 1.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5436 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5436 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2133 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2133 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5126 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5126 2.0102 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 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0006 | + | ID FL3F19NF0006 |
| − | KNApSAcK_ID C00013466 | + | KNApSAcK_ID C00013466 |
| − | NAME (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one | + | NAME (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 51787-32-7 | + | CAS_RN 51787-32-7 |
| − | FORMULA C23H20O6 | + | FORMULA C23H20O6 |
| − | EXACTMASS 392.125988372 | + | EXACTMASS 392.125988372 |
| − | AVERAGEMASS 392.4013 | + | AVERAGEMASS 392.4013 |
| − | SMILES C(C21)(c(c43)c(ccc(C(C=C(c(c5)cccc5)O4)=O)3)O2)C(C(O1)(C)C)OC(C)=O | + | SMILES C(C21)(c(c43)c(ccc(C(C=C(c(c5)cccc5)O4)=O)3)O2)C(C(O1)(C)C)OC(C)=O |
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 33 0 0 0 0 0 0 0 0999 V2000
-0.7652 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -1.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 -0.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 0.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3782 0.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -1.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 0.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 -0.1254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3156 1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 1.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6432 1.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2918 2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5031 2.2734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6258 1.2957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5436 2.5823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2133 2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 2.0102 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 0 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL3F19NF0006
KNApSAcK_ID C00013466
NAME (-)-Semiglabrin;Semiglabrin;(7aS,10R,10aR)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 51787-32-7
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES C(C21)(c(c43)c(ccc(C(C=C(c(c5)cccc5)O4)=O)3)O2)C(C(O1)(C)C)OC(C)=O
M END
