Mol:FL1C3CGS0026
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 |
| − | -0.9373 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9373 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9373 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9373 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2228 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2228 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4917 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4917 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4917 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4917 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2228 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2228 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2061 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2061 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9206 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9206 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9206 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9206 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6351 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6351 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3496 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3496 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0640 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0640 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0640 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0640 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3496 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3496 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6351 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6351 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2061 -2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2061 -2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3097 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3097 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8316 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8316 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0565 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0565 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2452 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2452 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7232 0.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7232 0.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4984 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4984 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7098 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7098 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7453 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7453 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3027 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3027 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1670 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1670 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2228 -2.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2228 -2.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6053 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6053 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7453 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7453 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6748 -1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6748 -1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3496 2.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3496 2.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3429 1.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3429 1.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6748 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6748 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0214 2.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0214 2.4132 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 |
| − | 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 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 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 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 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 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 13 29 1 0 0 0 0 | + | 13 29 1 0 0 0 0 |
| − | 2 30 1 0 0 0 0 | + | 2 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 20 28 1 0 0 0 0 | + | 20 28 1 0 0 0 0 |
| − | 32 23 1 0 0 0 0 | + | 32 23 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 31 34 1 0 0 0 0 | + | 31 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0026 | + | ID FL1C3CGS0026 |
| − | KNApSAcK_ID C00014514 | + | KNApSAcK_ID C00014514 |
| − | NAME 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside | + | NAME 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside |
| − | CAS_RN 207906-26-1 | + | CAS_RN 207906-26-1 |
| − | FORMULA C23H26O11 | + | FORMULA C23H26O11 |
| − | EXACTMASS 478.147511674 | + | EXACTMASS 478.147511674 |
| − | AVERAGEMASS 478.44594 | + | AVERAGEMASS 478.44594 |
| − | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(c3)O)OC)c(O)2)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(c3)O)OC)c(O)2)OC(CO)C1O |
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
-0.9373 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9373 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4917 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4917 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 -1.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9206 -1.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9206 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6351 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3496 -0.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0640 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0640 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3496 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6351 0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2061 -2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3097 0.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8316 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0565 -0.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2452 -0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7232 0.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4984 0.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7098 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7453 -0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3027 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1670 -0.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 -2.2994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 0.0350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7453 1.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 -1.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3496 2.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3429 1.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6748 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0214 2.4132 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 2 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
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
18 25 1 0 0 0 0
19 26 1 0 0 0 0
3 27 1 0 0 0 0
1 28 1 0 0 0 0
13 29 1 0 0 0 0
2 30 1 0 0 0 0
14 31 1 0 0 0 0
20 28 1 0 0 0 0
32 23 1 0 0 0 0
30 33 1 0 0 0 0
31 34 1 0 0 0 0
S SKP 8
ID FL1C3CGS0026
KNApSAcK_ID C00014514
NAME 2',4',4-Trihydroxy-3',3-dimethoxychalcone 4'-O-glucoside
CAS_RN 207906-26-1
FORMULA C23H26O11
EXACTMASS 478.147511674
AVERAGEMASS 478.44594
SMILES OC(C1O)C(Oc(c(OC)2)ccc(C(=O)C=Cc(c3)cc(c(c3)O)OC)c(O)2)OC(CO)C1O
M END
