Mol:FL5FCAGS0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0068 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0068 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0068 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0068 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7212 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7212 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4357 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4357 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4357 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4357 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7212 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7212 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7077 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7077 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1366 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1366 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1366 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1366 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7077 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7077 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5656 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5656 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5656 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5656 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4222 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4222 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2801 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2801 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0301 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0301 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0364 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0364 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8511 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8511 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0127 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0127 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2825 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2825 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6149 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6149 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4321 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4321 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0763 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0763 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7440 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7440 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9268 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9268 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6834 1.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6834 1.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5100 1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5100 1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0127 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0127 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6434 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6434 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7006 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7006 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 11 17 2 0 0 0 0 | + | 11 17 2 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCAGS0007 | + | ID FL5FCAGS0007 |
| − | KNApSAcK_ID C00013810 | + | KNApSAcK_ID C00013810 |
| − | NAME Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one | + | NAME Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 178402-89-6 | + | CAS_RN 178402-89-6 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O | + | SMILES C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
0.0068 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4357 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1366 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7077 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5656 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4222 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2801 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0301 -1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0364 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0127 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2825 1.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6149 1.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4321 1.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0763 0.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7440 1.0049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9268 1.1204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6834 1.5731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5100 1.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0127 0.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6434 0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7006 -0.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
18 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
23 29 1 0 0 0 0
28 30 1 0 0 0 0
27 31 1 0 0 0 0
26 32 1 0 0 0 0
32 33 1 0 0 0 0
24 20 1 0 0 0 0
S SKP 8
ID FL5FCAGS0007
KNApSAcK_ID C00013810
NAME Kaempferol 7-methyl ether 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 178402-89-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES C(=C2c(c4)ccc(c4)OC(C(O)3)OC(CO)C(O)C3O)(C(c(c(O2)1)c(cc(c1)OC)O)=O)O
M END
