Mol:FL1DAAGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.7862 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3572 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3572 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3572 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0717 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0717 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2151 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2151 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5006 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5006 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7862 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7862 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3572 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3572 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9296 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9296 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0717 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0717 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7862 -2.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7862 -2.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5006 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5006 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -0.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2151 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2151 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9296 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9296 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6670 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6670 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.4805 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4805 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2687 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2687 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1337 1.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1337 1.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1179 1.6311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1179 1.6311 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 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 29 1 1 0 0 0 | + | 28 29 1 1 0 0 0 |
| − | 30 29 1 1 0 0 0 | + | 30 29 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 27 1 0 0 0 0 | + | 32 27 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 28 36 1 0 0 0 0 | + | 28 36 1 0 0 0 0 |
| − | 29 37 1 0 0 0 0 | + | 29 37 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAAGS0006 | + | ID FL1DAAGS0006 |
| − | KNApSAcK_ID C00014632 | + | KNApSAcK_ID C00014632 |
| − | NAME Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside | + | NAME Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside |
| − | CAS_RN 145039-89-0 | + | CAS_RN 145039-89-0 |
| − | FORMULA C25H28O12 | + | FORMULA C25H28O12 |
| − | EXACTMASS 520.15807636 | + | EXACTMASS 520.15807636 |
| − | AVERAGEMASS 520.48262 | + | AVERAGEMASS 520.48262 |
| − | SMILES C(CC(c(c2OC(C3O)OC(CO)C(O)C3O)c(OC(C)=O)cc(OC(C)=O)c2)=O)c(c1)ccc(O)c1 | + | SMILES C(CC(c(c2OC(C3O)OC(CO)C(O)C3O)c(OC(C)=O)cc(OC(C)=O)c2)=O)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.7862 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3572 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0717 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2151 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5006 1.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3572 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9296 1.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0717 -2.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7862 -2.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 -2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5006 0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2151 -0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9296 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6670 3.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0692 2.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2687 1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1337 1.7347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4550 2.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0324 2.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0404 3.3022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3295 3.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0692 3.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1179 1.6311 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 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
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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 23 1 0 0 0 0
3 19 1 0 0 0 0
13 18 1 0 0 0 0
19 21 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
23 25 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
27 28 1 1 0 0 0
28 29 1 1 0 0 0
30 29 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 27 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
28 36 1 0 0 0 0
29 37 1 0 0 0 0
17 30 1 0 0 0 0
S SKP 8
ID FL1DAAGS0006
KNApSAcK_ID C00014632
NAME Zosterin;4,2'-Dihydroxy-4',6'-diacetoxydihydrochalcone 2'-O-glucoside
CAS_RN 145039-89-0
FORMULA C25H28O12
EXACTMASS 520.15807636
AVERAGEMASS 520.48262
SMILES C(CC(c(c2OC(C3O)OC(CO)C(O)C3O)c(OC(C)=O)cc(OC(C)=O)c2)=O)c(c1)ccc(O)c1
M END
