Mol:FL3FAAGS0001
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 |
| − | -0.3452 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3452 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3452 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3452 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1553 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1553 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6557 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6557 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1553 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1553 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6566 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6566 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6566 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6566 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1567 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1567 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6871 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6871 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2174 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2174 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2174 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2174 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6871 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6871 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1567 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1567 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1553 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1553 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8453 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7473 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7473 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2121 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2121 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7067 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7067 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0856 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0856 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3710 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3710 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8763 0.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8763 0.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4974 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5900 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5900 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7473 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7473 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3379 -0.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3379 -0.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5808 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5808 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3777 0.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3777 0.7923 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 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 SBV 1 33 -7.3235 2.8269 | + | M SBV 1 33 -7.3235 2.8269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0001 | + | ID FL3FAAGS0001 |
| − | KNApSAcK_ID C00001017 | + | KNApSAcK_ID C00001017 |
| − | NAME Apigenin 7-O-glucoside | + | NAME Apigenin 7-O-glucoside |
| − | CAS_RN 578-74-5 | + | CAS_RN 578-74-5 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)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
-0.3452 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7473 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2121 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7067 -0.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0856 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3710 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8763 0.5344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4974 0.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5900 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 -0.1287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3379 -0.3251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5808 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3777 0.7923 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
7 20 2 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
24 18 1 0 0 0 0
23 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
26 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 SBV 1 33 -7.3235 2.8269
S SKP 8
ID FL3FAAGS0001
KNApSAcK_ID C00001017
NAME Apigenin 7-O-glucoside
CAS_RN 578-74-5
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES Oc(c1)ccc(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(O2)C(O)C(O)C(O)C2CO)c1
M END
