Mol:FL5FACCS0001
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 |
| − | -0.7052 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7052 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7052 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7052 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1489 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1489 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4074 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4074 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4074 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4074 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1489 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1489 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9637 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9637 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5200 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5200 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5200 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5200 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9637 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9637 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9637 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9637 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1489 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1489 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1998 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1998 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7861 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7861 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3723 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3723 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3723 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3723 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7861 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7861 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1998 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1998 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9581 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9581 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2586 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.2586 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7430 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7430 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2273 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2273 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5261 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5261 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0211 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0211 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5780 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.5780 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9581 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9581 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3853 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3853 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6732 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6732 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2613 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2613 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7861 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7861 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0761 -1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0761 -1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7790 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7790 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7341 -0.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7341 -0.0938 0.0000 O 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 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 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 8 31 1 0 0 0 0 | + | 8 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 35 -2.779 -0.3901 | + | M SVB 1 35 -2.779 -0.3901 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACCS0001 | + | ID FL5FACCS0001 |
| − | KNApSAcK_ID C00006111 | + | KNApSAcK_ID C00006111 |
| − | NAME 6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one | + | NAME 6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 28225-11-8 | + | CAS_RN 28225-11-8 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(c(c2O)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O)O | + | SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(c(c2O)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[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/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.7052 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7052 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1489 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4074 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4074 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1489 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9637 -1.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 -0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5200 -0.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9637 0.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9637 -1.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1489 -1.8310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 -0.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3723 0.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3723 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 1.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9581 1.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2586 -1.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7430 -1.6897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2273 -1.3803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5261 -1.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0211 -1.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5780 -1.2772 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9581 -1.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3853 -1.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6732 -1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 1.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0761 -1.1887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7790 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7341 -0.0938 0.0000 O 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
3 12 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
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
2 23 1 0 0 0 0
1 29 1 0 0 0 0
17 30 1 0 0 0 0
8 31 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SVB 1 35 -2.779 -0.3901
S SKP 8
ID FL5FACCS0001
KNApSAcK_ID C00006111
NAME 6-C-Glucosylquercetin;6-beta-D-Glucopyranosyl-3,5,7,3',4'-pentahydroxyflavone;2-(3,4-dihydroxyphenyl)-6-beta-D-Glucopyranosyl-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 28225-11-8
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(c(c2O)[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O)O
M END
