Mol:FL6DDANP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3082 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3082 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1661 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1661 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4517 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4517 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2641 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2641 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9786 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9786 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4483 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4483 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9786 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9786 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0227 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0227 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7372 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7372 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4062 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4062 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1207 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1207 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8352 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8352 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5496 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5496 -0.4125 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 2 0 0 0 0 | + | 3 7 2 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 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 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 |
| − | 1 15 1 6 0 0 0 | + | 1 15 1 6 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 5 26 1 1 0 0 0 | + | 5 26 1 1 0 0 0 |
| − | 6 28 1 1 0 0 0 | + | 6 28 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 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 FL6DDANP0001 | + | ID FL6DDANP0001 |
| − | KNApSAcK_ID C00013270 | + | KNApSAcK_ID C00013270 |
| − | NAME 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan | + | NAME 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan |
| − | CAS_RN 462109-98-4 | + | CAS_RN 462109-98-4 |
| − | FORMULA C23H26O6 | + | FORMULA C23H26O6 |
| − | EXACTMASS 398.172938564 | + | EXACTMASS 398.172938564 |
| − | AVERAGEMASS 398.44894 | + | AVERAGEMASS 398.44894 |
| − | SMILES C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1 | + | SMILES C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1 |
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 32 0 0 0 0 0 0 0 0999 V2000
1.1207 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3082 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1661 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4517 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2641 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4483 1.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9786 0.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0227 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7372 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1207 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8352 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5496 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
3 7 2 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 4 2 0 0 0 0
8 11 1 0 0 0 0
11 12 1 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
1 15 1 6 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 15 1 0 0 0 0
18 21 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
10 24 1 0 0 0 0
5 26 1 1 0 0 0
6 28 1 1 0 0 0
24 25 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL6DDANP0001
KNApSAcK_ID C00013270
NAME 3beta,4beta,5-Trimethoxy-4'-hydroxy- (6:7)-2,2-dimethylpyranoflavan
CAS_RN 462109-98-4
FORMULA C23H26O6
EXACTMASS 398.172938564
AVERAGEMASS 398.44894
SMILES C(OC)(C1c(c4)ccc(c4)O)C(OC)c(c(OC)2)c(cc(O3)c2C=CC3(C)C)O1
M END
