Mol:FL5FCCGS0004
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 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0997 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0997 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0997 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0997 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5434 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5434 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0129 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0129 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0129 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0129 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5434 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5434 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5692 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5692 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1255 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1255 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1255 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1255 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5692 0.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5692 0.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5692 -1.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5692 -1.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6816 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6816 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2486 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2486 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8155 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8155 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8155 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8155 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2486 1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2486 1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6816 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6816 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5434 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5434 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2998 1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2998 1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6816 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6816 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2486 2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2486 2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8225 -1.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.8225 -1.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.3956 -2.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3956 -2.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7808 -1.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7808 -1.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1876 -1.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1876 -1.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6186 -1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6186 -1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2466 -1.6088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2466 -1.6088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.3714 -1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3714 -1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0611 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0611 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4285 -2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4285 -2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4819 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4819 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4599 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4599 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4570 1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4570 1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9570 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9570 1.9394 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
| − | M SVB 2 34 -2.4819 -0.883 | + | M SVB 2 34 -2.4819 -0.883 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -1.457 1.0734 | + | M SVB 1 36 -1.457 1.0734 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCCGS0004 | + | ID FL5FCCGS0004 |
| − | KNApSAcK_ID C00005508 | + | KNApSAcK_ID C00005508 |
| − | NAME Rhamnetin 5-glucoside | + | NAME Rhamnetin 5-glucoside |
| − | CAS_RN 93078-95-6 | + | CAS_RN 93078-95-6 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c23)c(OC)cc(c(C(C(O)=C(c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES c(c23)c(OC)cc(c(C(C(O)=C(c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.0997 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0997 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0129 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0129 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -0.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1255 -0.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1255 0.4546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 0.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5692 -1.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6816 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2486 0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 0.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2486 1.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6816 1.4304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5434 -1.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2998 1.8473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6816 -0.5088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2486 2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8225 -1.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3956 -2.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7808 -1.8209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1876 -1.8145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6186 -1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2466 -1.6088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.3714 -1.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0611 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4285 -2.4122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4819 -0.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4599 -0.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4570 1.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9570 1.9394 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
8 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
18 25 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 CH2OH
M SVB 2 34 -2.4819 -0.883
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -1.457 1.0734
S SKP 8
ID FL5FCCGS0004
KNApSAcK_ID C00005508
NAME Rhamnetin 5-glucoside
CAS_RN 93078-95-6
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c23)c(OC)cc(c(C(C(O)=C(c(c4)ccc(c4O)O)O3)=O)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
