Mol:FL5FAAGS0012
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3360 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3360 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3360 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3360 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2203 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2203 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7766 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7766 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2203 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2203 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3329 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3329 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8893 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8893 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8893 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8893 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3329 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3329 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3329 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3329 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4453 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4453 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0123 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0123 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5793 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5793 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5793 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5793 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0123 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0123 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4453 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4453 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2203 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2203 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8921 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1461 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1461 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3212 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3212 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5947 0.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5947 0.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.0791 -0.1993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.0791 -0.1993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3366 0.0894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.3366 0.0894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.6201 0.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.6201 0.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1407 0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1407 0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7903 0.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.7903 0.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.1461 0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1461 0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0791 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0791 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9111 -0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9111 -0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9877 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9877 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9434 1.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9434 1.4331 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -2.9877 1.1386 | + | M SVB 1 34 -2.9877 1.1386 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0012 | + | ID FL5FAAGS0012 |
| − | KNApSAcK_ID C00005147 | + | KNApSAcK_ID C00005147 |
| − | NAME Kaempferol 7-alloside | + | NAME Kaempferol 7-alloside |
| − | CAS_RN 765949-92-6 | + | CAS_RN 765949-92-6 |
| − | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
| − | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
| − | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
| − | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O | + | SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.3360 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3360 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2203 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2203 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8893 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8893 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3329 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0123 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5793 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5793 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0123 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4453 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2203 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1461 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3212 -0.8838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5947 0.4813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0791 -0.1993 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3366 0.0894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6201 0.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1407 0.6179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7903 0.2750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.1461 0.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0791 -1.0303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9111 -0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9877 1.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9434 1.4331 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
8 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 19 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SVB 1 34 -2.9877 1.1386
S SKP 8
ID FL5FAAGS0012
KNApSAcK_ID C00005147
NAME Kaempferol 7-alloside
CAS_RN 765949-92-6
FORMULA C21H20O11
EXACTMASS 448.100561482
AVERAGEMASS 448.3769
SMILES c(c4)c(ccc(O)4)C(=C3O)Oc(c1)c(C3=O)c(cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)1)O
M END
