Mol:FL3FAACS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9916 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9916 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4353 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4353 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1210 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1210 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1210 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1210 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4353 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4353 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6773 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2336 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2336 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2336 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2336 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6773 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6773 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4353 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4353 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4996 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4996 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0859 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0859 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0859 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0859 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4996 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4996 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6717 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6717 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5450 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5450 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0294 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0294 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5137 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5137 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.7502 -1.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.7502 -1.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3075 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3075 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8644 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8644 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5167 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5167 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6717 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6717 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9596 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9596 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5477 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5477 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6306 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6306 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2306 0.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2306 0.4085 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 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 33 -2.6306 -0.3915 | + | M SVB 1 33 -2.6306 -0.3915 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0008 | + | ID FL3FAACS0008 |
| − | KNApSAcK_ID C00006099 | + | KNApSAcK_ID C00006099 |
| − | NAME 6-C-beta-D-Galactosylapigenin | + | NAME 6-C-beta-D-Galactosylapigenin |
| − | CAS_RN 70116-01-7 | + | CAS_RN 70116-01-7 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O)O)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O)O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9916 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5450 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0294 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5137 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7502 -1.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3075 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5167 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6717 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9596 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5477 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2306 0.4085 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
25 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 CH2OH
M SVB 1 33 -2.6306 -0.3915
S SKP 8
ID FL3FAACS0008
KNApSAcK_ID C00006099
NAME 6-C-beta-D-Galactosylapigenin
CAS_RN 70116-01-7
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O)O)c1
M END
