Mol:FL3FAAGS0008
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 |
| − | -0.4379 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4379 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4379 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1184 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1184 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6747 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6747 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6747 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6747 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1184 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1184 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2310 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2310 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7874 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7874 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7874 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7874 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2310 0.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2310 0.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2310 -1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2310 -1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3434 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3434 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9104 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9104 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4774 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4774 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4774 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4774 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9104 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9104 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3434 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3434 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9940 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9940 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1184 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1184 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0442 1.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0442 1.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7560 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7560 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2404 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2404 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4979 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4979 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7814 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7814 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3021 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3021 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0605 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0605 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7560 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7560 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0442 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0442 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0725 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0725 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1890 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1890 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7724 1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7724 1.4706 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 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 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 |
| − | 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 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 -7.2654 4.5585 | + | M SBV 1 33 -7.2654 4.5585 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0008 | + | ID FL3FAAGS0008 |
| − | KNApSAcK_ID C00004143 | + | KNApSAcK_ID C00004143 |
| − | NAME Apigenin 7-galactoside | + | NAME Apigenin 7-galactoside |
| − | CAS_RN 23598-21-2 | + | CAS_RN 23598-21-2 |
| − | 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
-0.4379 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4379 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 0.4562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -0.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 -0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7874 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 0.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2310 -1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3434 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 0.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4774 0.4561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4774 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9104 1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3434 1.1108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9940 0.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1184 -1.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0442 1.4380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7560 0.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2404 -0.1211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4979 0.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7814 0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3021 0.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0605 0.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7560 1.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0442 -0.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -0.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1890 0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7724 1.4706 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
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 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 -7.2654 4.5585
S SKP 8
ID FL3FAAGS0008
KNApSAcK_ID C00004143
NAME Apigenin 7-galactoside
CAS_RN 23598-21-2
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
