Mol:FL3F19NF0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5851 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5851 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8439 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -0.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -0.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5584 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5584 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2728 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2728 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9873 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9873 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2728 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2728 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5583 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5583 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4711 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4711 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2915 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2915 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 -0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 -0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1355 1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1355 1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7486 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7486 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4631 1.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4631 1.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1117 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1117 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3230 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3230 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9873 0.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9873 0.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7559 0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7559 0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4457 1.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4457 1.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3348 2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3348 2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0332 2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0332 2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6581 2.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6581 2.2203 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 28 1 1 0 0 0 | + | 21 28 1 1 0 0 0 |
| − | 19 26 1 6 0 0 0 | + | 19 26 1 6 0 0 0 |
| − | 18 27 1 6 0 0 0 | + | 18 27 1 6 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0008 | + | ID FL3F19NF0008 |
| − | KNApSAcK_ID C00013468 | + | KNApSAcK_ID C00013468 |
| − | NAME (-)-Pseudosemiglabrin;Pseudosemiglabrin;(7aS,10S,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 (-)-Pseudosemiglabrin;Pseudosemiglabrin;(7aS,10S,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 75444-25-6 | + | CAS_RN 75444-25-6 |
| − | FORMULA C23H20O6 | + | FORMULA C23H20O6 |
| − | EXACTMASS 392.125988372 | + | EXACTMASS 392.125988372 |
| − | AVERAGEMASS 392.4013 | + | AVERAGEMASS 392.4013 |
| − | SMILES CC(=O)OC(C(C)(C)1)C([H])(c23)C(Oc2ccc(C4=O)c3OC(c(c5)cccc5)=C4)([H])O1 | + | SMILES CC(=O)OC(C(C)(C)1)C([H])(c23)C(Oc2ccc(C4=O)c3OC(c(c5)cccc5)=C4)([H])O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.5851 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -1.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -0.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 -0.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 0.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5583 0.5850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -0.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 0.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 0.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 -0.1005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1355 1.3206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 1.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1117 2.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9873 0.6532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7559 0.5669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4457 1.3206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3348 2.5575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0332 2.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6581 2.2203 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 28 1 1 0 0 0
19 26 1 6 0 0 0
18 27 1 6 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL3F19NF0008
KNApSAcK_ID C00013468
NAME (-)-Pseudosemiglabrin;Pseudosemiglabrin;(7aS,10S,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 75444-25-6
FORMULA C23H20O6
EXACTMASS 392.125988372
AVERAGEMASS 392.4013
SMILES CC(=O)OC(C(C)(C)1)C([H])(c23)C(Oc2ccc(C4=O)c3OC(c(c5)cccc5)=C4)([H])O1
M END
