Mol:FL3F19NF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 32 0 0 0 0 0 0 0 0999 V2000 | + | 28 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7652 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7652 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7652 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4796 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4796 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3783 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3783 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8072 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8072 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0927 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0927 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3782 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3782 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0507 -2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0507 -2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1941 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1941 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6512 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6512 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4716 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4716 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8072 0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8072 0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8721 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8721 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6314 1.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6314 1.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2616 1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2616 1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8919 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8919 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5646 1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5646 1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5619 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5619 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7936 2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7936 2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5861 0.1741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5861 0.1741 0.0000 O 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 |
| − | 18 3 1 1 0 0 0 | + | 18 3 1 1 0 0 0 |
| − | 18 19 1 6 0 0 0 | + | 18 19 1 6 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 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 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 28 2 0 0 0 0 | + | 21 28 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0003 | + | ID FL3F19NF0003 |
| − | KNApSAcK_ID C00013463 | + | KNApSAcK_ID C00013463 |
| − | NAME Glabratephrinol;(3R,4R)-rel-(+)-4,5-Dihydro-4-hydroxy-5,5-dimethyl-2'-phenyl-spiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione | + | NAME Glabratephrinol;(3R,4R)-rel-(+)-4,5-Dihydro-4-hydroxy-5,5-dimethyl-2'-phenyl-spiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione |
| − | CAS_RN 75444-24-5 | + | CAS_RN 75444-24-5 |
| − | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
| − | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
| − | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
| − | SMILES c(c5)c(C1=O)c(c(c45)C(C3O)(CO4)C(=O)OC3(C)C)OC(c(c2)cccc2)=C1 | + | SMILES c(c5)c(C1=O)c(c(c45)C(C3O)(CO4)C(=O)OC3(C)C)OC(c(c2)cccc2)=C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 32 0 0 0 0 0 0 0 0999 V2000
-0.7652 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7652 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4796 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3783 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8072 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3782 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0507 -2.3883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1941 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6512 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4716 0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8072 0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8721 0.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6314 1.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2616 1.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8919 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5646 1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5619 2.3883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7936 2.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5861 0.1741 0.0000 O 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
18 3 1 1 0 0 0
18 19 1 6 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 24 1 0 0 0 0
24 18 1 0 0 0 0
24 25 1 1 0 0 0
23 26 1 0 0 0 0
23 27 1 0 0 0 0
21 28 2 0 0 0 0
S SKP 8
ID FL3F19NF0003
KNApSAcK_ID C00013463
NAME Glabratephrinol;(3R,4R)-rel-(+)-4,5-Dihydro-4-hydroxy-5,5-dimethyl-2'-phenyl-spiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione
CAS_RN 75444-24-5
FORMULA C22H18O6
EXACTMASS 378.110338308
AVERAGEMASS 378.37472
SMILES c(c5)c(C1=O)c(c(c45)C(C3O)(CO4)C(=O)OC3(C)C)OC(c(c2)cccc2)=C1
M END
