Mol:FL5FAAGA0028
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6422 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6422 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0318 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0318 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0318 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0318 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6422 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6422 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8109 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8109 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8109 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8109 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4213 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4213 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0901 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0901 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4921 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4921 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0743 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0743 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0743 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0743 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4921 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4921 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0901 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0901 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5313 2.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5313 2.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6935 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6935 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6422 -0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6422 -0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4213 -0.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4213 -0.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2396 -0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2396 -0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7138 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7138 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2459 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2459 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4935 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4935 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8397 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8397 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3075 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3075 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0600 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0600 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3928 0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3928 0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7217 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7217 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3544 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3544 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1819 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1819 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1819 -1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1819 -1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1819 -2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1819 -2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6920 -2.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6920 -2.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6887 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6887 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1597 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1597 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1597 -1.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1597 -1.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6935 -2.3715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6935 -2.3715 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 |
| − | 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 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 3 1 0 0 0 0 | + | 10 3 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 7 20 2 0 0 0 0 | + | 7 20 2 0 0 0 0 |
| − | 8 21 1 0 0 0 0 | + | 8 21 1 0 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 2 0 0 0 0 | + | 36 38 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGA0028 | + | ID FL5FAAGA0028 |
| − | KNApSAcK_ID C00005840 | + | KNApSAcK_ID C00005840 |
| − | NAME Kaempferol 3-(6''-malonylgalactoside) | + | NAME Kaempferol 3-(6''-malonylgalactoside) |
| − | CAS_RN 81202-52-0 | + | CAS_RN 81202-52-0 |
| − | FORMULA C24H22O14 | + | FORMULA C24H22O14 |
| − | EXACTMASS 534.100955412 | + | EXACTMASS 534.100955412 |
| − | AVERAGEMASS 534.42308 | + | AVERAGEMASS 534.42308 |
| − | SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(O)c2 | + | SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-2.6422 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0318 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0318 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6422 1.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2526 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2526 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 -0.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8109 0.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8109 0.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 1.2993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0901 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4921 1.0269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0743 1.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0743 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4921 2.3715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0901 2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5313 2.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6935 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6422 -0.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4213 -0.5394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2396 -0.0878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7138 -0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2459 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4935 0.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8397 0.3819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3075 -0.1502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0600 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3928 0.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7217 0.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3544 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -1.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 -2.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6920 -2.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6887 -2.3351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 -2.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1597 -1.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6935 -2.3715 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
2 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 3 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
14 17 1 0 0 0 0
5 18 1 0 0 0 0
1 19 1 0 0 0 0
7 20 2 0 0 0 0
8 21 1 0 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 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
21 26 1 0 0 0 0
25 28 1 0 0 0 0
24 29 1 0 0 0 0
23 30 1 0 0 0 0
22 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 2 0 0 0 0
S SKP 8
ID FL5FAAGA0028
KNApSAcK_ID C00005840
NAME Kaempferol 3-(6''-malonylgalactoside)
CAS_RN 81202-52-0
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES O=C(CC(O)=O)OCC(O1)C(O)C(O)C(O)C1OC(=C3c(c4)ccc(c4)O)C(=O)c(c(O3)2)c(O)cc(O)c2
M END
