Mol:FL63AEGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4666 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4666 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4666 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4666 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8955 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8955 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8955 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8955 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2479 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2479 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9623 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9623 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9623 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9623 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2479 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2479 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6768 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6768 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3492 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3492 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0217 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0217 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0217 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0217 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3492 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3492 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6768 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6768 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6100 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6100 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7539 -0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7539 -0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1811 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1811 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6601 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6601 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3746 1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3746 1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6664 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6664 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8601 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8601 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4476 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4476 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6495 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6495 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8563 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8563 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2687 -1.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2687 -1.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0669 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0669 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2352 -0.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2352 -0.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7804 -0.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7804 -0.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3746 -1.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3746 -1.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8690 -1.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8690 -1.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9635 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9635 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 4 17 1 0 0 0 0 | + | 4 17 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AEGS0001 | + | ID FL63AEGS0001 |
| − | KNApSAcK_ID C00013255 | + | KNApSAcK_ID C00013255 |
| − | NAME Catechin 5-O-beta-D-glucopyranoside-4'-Me | + | NAME Catechin 5-O-beta-D-glucopyranoside-4'-Me |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C22H26O11 | + | FORMULA C22H26O11 |
| − | EXACTMASS 466.147511674 | + | EXACTMASS 466.147511674 |
| − | AVERAGEMASS 466.43524 | + | AVERAGEMASS 466.43524 |
| − | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(C1)c(cc3O)OC(c(c2)ccc(OC)c2O)C1O | + | SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(C1)c(cc3O)OC(c(c2)ccc(OC)c2O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.4666 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4666 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8955 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8955 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 -0.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9623 0.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2479 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6768 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3492 0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0217 1.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0217 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3492 2.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6768 1.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6100 1.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7539 -0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1811 -1.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6601 2.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3746 1.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6664 0.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8601 -1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4476 -1.9045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6495 -1.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8563 -1.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2687 -1.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0669 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2352 -0.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7804 -0.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3746 -1.7045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8690 -1.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9635 -2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 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
1 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 2 1 0 0 0 0
9 11 1 6 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
4 17 1 0 0 0 0
8 18 1 1 0 0 0
14 20 1 0 0 0 0
6 19 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
19 26 1 0 0 0 0
S SKP 8
ID FL63AEGS0001
KNApSAcK_ID C00013255
NAME Catechin 5-O-beta-D-glucopyranoside-4'-Me
CAS_RN -
FORMULA C22H26O11
EXACTMASS 466.147511674
AVERAGEMASS 466.43524
SMILES OC(C4O)C(OC(CO)C4O)Oc(c3)c(C1)c(cc3O)OC(c(c2)ccc(OC)c2O)C1O
M END
