Mol:FL3FA9NP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3082 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2641 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2641 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7338 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7338 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 2.2687 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 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 |
| − | 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 4 1 0 0 0 0 | + | 23 4 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 6 0 0 0 | + | 21 26 1 6 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 |
| − | 20 30 1 1 0 0 0 | + | 20 30 1 1 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0006 | + | ID FL3FA9NP0006 |
| − | KNApSAcK_ID C00013429 | + | KNApSAcK_ID C00013429 |
| − | NAME (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one | + | NAME (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| − | CAS_RN 613246-07-4 | + | CAS_RN 613246-07-4 |
| − | FORMULA C25H24O8 | + | FORMULA C25H24O8 |
| − | EXACTMASS 452.14711774399996 | + | EXACTMASS 452.14711774399996 |
| − | AVERAGEMASS 452.45326 | + | AVERAGEMASS 452.45326 |
| − | SMILES O(c42)C(=CC(=O)c2c(cc(c43)OC(C(OC(C)=O)C3OC(C)=O)(C)C)OC)c(c1)cccc1 | + | SMILES O(c42)C(=CC(=O)c2c(cc(c43)OC(C(OC(C)=O)C3OC(C)=O)(C)C)OC)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.3082 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -3.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2641 0.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7338 1.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 3.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 2.2687 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 1 0 0 0 0
9 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 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 4 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 1 6 0 0 0
26 28 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
20 30 1 1 0 0 0
30 32 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL3FA9NP0006
KNApSAcK_ID C00013429
NAME (9R,10S)-rel-(-)-9,10-bis(Acetyloxy)-9,10-dihydro-5-methoxy-8,8-dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
CAS_RN 613246-07-4
FORMULA C25H24O8
EXACTMASS 452.14711774399996
AVERAGEMASS 452.45326
SMILES O(c42)C(=CC(=O)c2c(cc(c43)OC(C(OC(C)=O)C3OC(C)=O)(C)C)OC)c(c1)cccc1
M END
