Mol:FLIA1CGS0004
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 |
| − | -1.6380 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6380 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0817 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0817 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5254 1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5254 1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0307 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0307 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0307 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0307 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6074 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6074 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1842 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1842 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1842 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1842 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6074 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6074 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0815 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5254 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5254 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6074 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6074 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7605 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7605 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7605 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7605 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3119 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3119 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8632 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8632 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8632 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8632 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3119 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3119 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7419 0.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.7419 0.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.3957 0.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.3957 0.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.8971 0.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.8971 0.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3774 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3774 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7656 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7656 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2749 0.7766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.2749 0.7766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1289 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1289 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7225 -0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7225 -0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6114 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6114 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5445 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5445 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9063 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9063 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4146 0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4146 0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1290 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1290 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7292 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7292 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5952 -1.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5952 -1.8849 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 31 -3.5445 1.5037 | + | M SVB 3 31 -3.5445 1.5037 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 35 | + | M SBL 2 1 35 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 35 3.0573 -1.0912 | + | M SVB 2 35 3.0573 -1.0912 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 3.4146 0.0701 | + | M SVB 1 33 3.4146 0.0701 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CGS0004 | + | ID FLIA1CGS0004 |
| − | KNApSAcK_ID C00010091 | + | KNApSAcK_ID C00010091 |
| − | NAME Cladrin 7-O-glucoside | + | NAME Cladrin 7-O-glucoside |
| − | CAS_RN 68862-12-4 | + | CAS_RN 68862-12-4 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)1 | + | SMILES c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)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/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.6380 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0817 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0307 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0307 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6074 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1842 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1842 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6074 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6074 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7605 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3119 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8632 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8632 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3119 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7419 0.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3957 0.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8971 0.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3774 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7656 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2749 0.7766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1289 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7225 -0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6114 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5445 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9063 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4146 0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1290 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7292 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5952 -1.8849 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
24 28 1 0 0 0 0
28 29 1 0 0 0 0
17 30 1 0 0 0 0
30 31 1 0 0 0 0
16 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 31
M SMT 3 CH2OH
M SVB 3 31 -3.5445 1.5037
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 OCH3
M SVB 2 35 3.0573 -1.0912
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 3.4146 0.0701
S SKP 8
ID FLIA1CGS0004
KNApSAcK_ID C00010091
NAME Cladrin 7-O-glucoside
CAS_RN 68862-12-4
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)1
M END
