Mol:FL63AAGS0009
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 |
| − | 0.6361 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6361 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6361 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6361 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0783 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0783 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7928 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7928 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7928 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7928 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0783 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0783 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3506 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3506 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0651 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0651 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0651 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3506 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3506 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7796 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7796 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1244 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1244 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1244 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1244 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4520 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4520 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7796 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7796 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5073 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5073 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7629 1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7629 1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8567 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8567 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0783 -1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0783 -1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1726 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1726 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7601 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7601 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9620 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9620 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1688 0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1688 0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5812 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5812 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3794 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3794 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5477 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5477 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0929 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0929 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7629 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7629 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1815 0.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1815 0.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3232 -0.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3232 -0.2633 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 1 0 0 0 | + | 9 11 1 1 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 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 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 |
| − | 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 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AAGS0009 | + | ID FL63AAGS0009 |
| − | KNApSAcK_ID C00013254 | + | KNApSAcK_ID C00013254 |
| − | NAME Ent-afzelechin-7-O-beta-D-glucopyranoside | + | NAME Ent-afzelechin-7-O-beta-D-glucopyranoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES Oc(c1)ccc(C(O4)C(O)Cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 | + | SMILES Oc(c1)ccc(C(O4)C(O)Cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1 |
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
0.6361 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6361 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7928 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7928 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 -1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 -0.5991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0651 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3506 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 0.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1244 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1244 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4520 1.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 1.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5073 0.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7629 1.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8567 -1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0783 -1.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1726 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7601 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9620 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1688 0.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5812 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3794 0.6410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5477 1.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0929 1.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7629 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1815 0.3964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3232 -0.2633 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 1 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 19 1 6 0 0 0
14 18 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
17 24 1 0 0 0 0
S SKP 8
ID FL63AAGS0009
KNApSAcK_ID C00013254
NAME Ent-afzelechin-7-O-beta-D-glucopyranoside
CAS_RN -
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES Oc(c1)ccc(C(O4)C(O)Cc(c24)c(cc(OC(O3)C(O)C(O)C(O)C3CO)c2)O)c1
M END
