Mol:FL6DACGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 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 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 27 21 1 0 0 0 0 | + | 27 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DACGS0003 | + | ID FL6DACGS0003 |
| − | KNApSAcK_ID C00009018 | + | KNApSAcK_ID C00009018 |
| − | NAME Catechin-4-ol 3-O-alpha-L-rhamnopyranoside | + | NAME Catechin-4-ol 3-O-alpha-L-rhamnopyranoside |
| − | CAS_RN 75303-46-7 | + | CAS_RN 75303-46-7 |
| − | FORMULA C21H24O11 | + | FORMULA C21H24O11 |
| − | EXACTMASS 452.13186161 | + | EXACTMASS 452.13186161 |
| − | AVERAGEMASS 452.40866 | + | AVERAGEMASS 452.40866 |
| − | SMILES C(C(O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 | + | SMILES C(C(O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.9974 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9974 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8848 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8848 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 -0.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 -0.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2278 0.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7839 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 0.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9178 0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9178 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7839 1.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3285 -1.1935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5523 0.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4847 1.7151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -1.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6917 -0.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3509 2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6582 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1936 -1.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0237 -1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1936 -0.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6582 -0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8280 -0.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4845 -0.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7957 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0644 -2.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5523 -1.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 5 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
7 17 1 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
8 21 1 1 0 0 0
15 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 21 1 0 0 0 0
S SKP 8
ID FL6DACGS0003
KNApSAcK_ID C00009018
NAME Catechin-4-ol 3-O-alpha-L-rhamnopyranoside
CAS_RN 75303-46-7
FORMULA C21H24O11
EXACTMASS 452.13186161
AVERAGEMASS 452.40866
SMILES C(C(O)3)(C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)OC(O1)C(O)C(O)C(O)C(C)1
M END
