Mol:FL3FA8CS0001
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 |
| − | 2.3218 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3218 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3218 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3218 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0363 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0363 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7508 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7508 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7508 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7508 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0363 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0363 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5682 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5682 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8537 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8537 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1392 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1392 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1392 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1392 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8537 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8537 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5682 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5682 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5753 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5753 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2897 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2897 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2897 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2897 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5753 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5753 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9608 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9608 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5753 -2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5753 -2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8537 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8537 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9979 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9979 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5595 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5595 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7693 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7693 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9667 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9667 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4064 -0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4064 -0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1967 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1967 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3749 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3749 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8645 -0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8645 -0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4632 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4632 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1262 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1262 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9174 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9174 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0363 2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0363 2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0363 -0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0363 -0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7058 1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7058 1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4632 -0.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4632 -0.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 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 |
| − | 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 |
| − | 20 28 1 0 0 0 0 | + | 20 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 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 23 15 1 0 0 0 0 | + | 23 15 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 4 34 1 0 0 0 0 | + | 4 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA8CS0001 | + | ID FL3FA8CS0001 |
| − | KNApSAcK_ID C00014020 | + | KNApSAcK_ID C00014020 |
| − | NAME Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone | + | NAME Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone |
| − | CAS_RN 274688-04-9 | + | CAS_RN 274688-04-9 |
| − | FORMULA C21H20O13 | + | FORMULA C21H20O13 |
| − | EXACTMASS 480.090390726 | + | EXACTMASS 480.090390726 |
| − | AVERAGEMASS 480.37569999999994 | + | AVERAGEMASS 480.37569999999994 |
| − | SMILES c(C(=O)4)(c2OC(=C4)c(c(O)3)c(O)c(cc3O)O)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O | + | SMILES c(C(=O)4)(c2OC(=C4)c(c(O)3)c(O)c(cc3O)O)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O |
M END | M END | ||
| − | |||
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
2.3218 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3218 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 -0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 0.2490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7508 1.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 1.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 0.2263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1392 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 0.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -0.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2897 -1.0112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -1.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9608 0.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8537 -1.9957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9979 -0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -1.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7693 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 -1.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -0.8618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1967 -1.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3749 -0.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8645 -0.2607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4632 -1.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1262 -1.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9174 -2.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 2.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0363 -0.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7058 1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4632 -0.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 17 1 0 0 0 0
16 18 1 0 0 0 0
11 19 2 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
6 31 1 0 0 0 0
23 15 1 0 0 0 0
3 32 1 0 0 0 0
1 33 1 0 0 0 0
4 34 1 0 0 0 0
S SKP 8
ID FL3FA8CS0001
KNApSAcK_ID C00014020
NAME Telephioidin;6-C-beta-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone
CAS_RN 274688-04-9
FORMULA C21H20O13
EXACTMASS 480.090390726
AVERAGEMASS 480.37569999999994
SMILES c(C(=O)4)(c2OC(=C4)c(c(O)3)c(O)c(cc3O)O)c(c(c(O)c2)C(C(O)1)OC(CO)C(O)C1O)O
M END
