Mol:FL1DAAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
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| − | -2.4680 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4680 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0391 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0391 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3899 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3899 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.1043 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1043 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.5333 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5333 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8188 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8188 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1043 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1043 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3246 -3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3246 -3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4485 -0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4485 -0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1263 -0.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1263 -0.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7535 -2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7535 -2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2181 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2181 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6986 1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6986 1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1784 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1784 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DAAGS0004 | + | ID FL1DAAGS0004 |
| − | KNApSAcK_ID C00014628 | + | KNApSAcK_ID C00014628 |
| − | NAME Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside) | + | NAME Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside) |
| − | CAS_RN 307991-34-0 | + | CAS_RN 307991-34-0 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES C(O1)(Oc(c(C(=O)CCc(c3)ccc(O)c3)2)cc(O)cc(O)2)C(O)C(C(C(COC(C)=O)1)O)O | + | SMILES C(O1)(Oc(c(C(=O)CCc(c3)ccc(O)c3)2)cc(O)cc(O)2)C(O)C(C(C(COC(C)=O)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-2.4680 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4680 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3246 -2.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3899 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1043 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5333 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5333 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8188 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1043 0.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3246 -3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4485 -0.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1263 -0.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7535 -2.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2181 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6986 1.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1784 0.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5767 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0969 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6282 1.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5741 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8577 2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6986 2.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8321 0.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1263 0.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0211 2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1164 3.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3535 2.1991 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
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 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
13 31 1 0 0 0 0
27 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
17 23 1 0 0 0 0
S SKP 8
ID FL1DAAGS0004
KNApSAcK_ID C00014628
NAME Phloretin 2'-O-(6''-O-acetylglucoside);4,2',4',6'-Tetrahydroxydihydroxychalcone 2'-O-(6''-O-acetylglucoside)
CAS_RN 307991-34-0
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES C(O1)(Oc(c(C(=O)CCc(c3)ccc(O)c3)2)cc(O)cc(O)2)C(O)C(C(C(COC(C)=O)1)O)O
M END
