Mol:FL5F1ACS0001
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 |
| − | -2.0665 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0665 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0665 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9539 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5102 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5102 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1587 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1587 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1587 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1587 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3976 -2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3976 -2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6226 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6226 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2648 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2648 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8704 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8704 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6135 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6135 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6066 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6066 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1433 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1433 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4483 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4483 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6394 2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6394 2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9052 2.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9052 2.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2489 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2489 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7492 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7492 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9986 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9986 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3739 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3739 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7492 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7492 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6226 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6226 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7148 -2.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7148 -2.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0132 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0132 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2987 1.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2987 1.0336 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 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 13 14 1 1 0 0 0 | + | 13 14 1 1 0 0 0 |
| − | 14 15 1 1 0 0 0 | + | 14 15 1 1 0 0 0 |
| − | 16 15 1 1 0 0 0 | + | 16 15 1 1 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 16 1 0 0 0 0 | + | 6 16 1 0 0 0 0 |
| − | 9 22 1 0 0 0 0 | + | 9 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 18 30 1 0 0 0 0 | + | 18 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 -7.0310 5.4674 | + | M SBV 1 33 -7.0310 5.4674 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5F1ACS0001 | + | ID FL5F1ACS0001 |
| − | KNApSAcK_ID C00006109 | + | KNApSAcK_ID C00006109 |
| − | NAME 8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 108351-24-2 | + | CAS_RN 108351-24-2 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES C(C(O)1)(c(c2O)c(O3)c(C(C(O)=C3c(c4)ccc(O)c4)=O)cc2)OC(CO)C(O)C1O | + | SMILES C(C(O)1)(c(c2O)c(O3)c(C(C(O)=C3c(c4)ccc(O)c4)=O)cc2)OC(CO)C(O)C1O |
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
-2.0665 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0665 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9539 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5102 -0.7739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -2.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1587 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -0.7739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3976 -2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6226 -0.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2648 1.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8704 1.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6135 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6066 0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1433 0.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6394 2.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9052 2.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 0.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 -1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -0.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3739 0.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 -0.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6226 0.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7148 -2.0585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0132 1.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2987 1.0336 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
1 12 1 0 0 0 0
13 14 1 1 0 0 0
14 15 1 1 0 0 0
16 15 1 1 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 13 1 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
6 16 1 0 0 0 0
9 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 22 1 0 0 0 0
25 28 1 0 0 0 0
8 29 1 0 0 0 0
18 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 -7.0310 5.4674
S SKP 8
ID FL5F1ACS0001
KNApSAcK_ID C00006109
NAME 8-C-Glucosyl-5-deoxykaempferol;8-beta-D-Glucopyranosyl-3,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 108351-24-2
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES C(C(O)1)(c(c2O)c(O3)c(C(C(O)=C3c(c4)ccc(O)c4)=O)cc2)OC(CO)C(O)C1O
M END
