Mol:FL2FALNP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7306 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7306 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7306 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7306 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1743 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1743 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6180 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6180 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6180 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6180 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1743 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1743 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0617 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0617 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4946 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4946 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4946 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4946 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0617 0.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0617 0.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0507 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0507 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6177 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6177 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1847 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1847 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1847 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1847 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6177 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6177 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0507 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0507 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0617 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0617 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1743 -1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1743 -1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2867 0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2867 0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7517 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7517 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3186 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3186 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3186 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3186 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7517 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7517 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9526 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9526 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6353 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6353 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4839 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4839 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2867 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2867 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8428 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8428 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3977 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3977 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9526 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9526 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3977 -1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3977 -1.5628 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 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 14 1 0 0 0 0 | + | 23 14 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 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 2 27 1 0 0 0 0 | + | 2 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0004 | + | ID FL2FALNP0004 |
| − | KNApSAcK_ID C00008332 | + | KNApSAcK_ID C00008332 |
| − | NAME Cudraflavanone A | + | NAME Cudraflavanone A |
| − | CAS_RN 87402-92-4 | + | CAS_RN 87402-92-4 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c4)(c3c(c(CC=C(C)C)c4O)O)OC(CC3=O)c(c2)c(cc(c21)OC(C)(C)C=C1)O | + | SMILES c(c4)(c3c(c(CC=C(C)C)c4O)O)OC(CC3=O)c(c2)c(cc(c21)OC(C)(C)C=C1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.7306 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7306 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6180 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6180 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 0.3619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0617 -0.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4946 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4946 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0617 0.3619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6177 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1847 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1847 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6177 1.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0617 -1.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1743 -1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2867 0.3617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7517 0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3186 0.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3186 1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7517 1.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9526 0.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6353 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4839 1.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2867 -0.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8428 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3977 -0.9221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9526 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3977 -1.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 14 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
16 26 1 0 0 0 0
2 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0004
KNApSAcK_ID C00008332
NAME Cudraflavanone A
CAS_RN 87402-92-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c4)(c3c(c(CC=C(C)C)c4O)O)OC(CC3=O)c(c2)c(cc(c21)OC(C)(C)C=C1)O
M END
