Mol:FL5FAAGS0104
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.1286 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1286 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1286 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5575 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5575 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8431 4.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8431 4.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0148 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0148 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4141 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4141 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4438 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4438 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3004 1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3004 1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1582 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1582 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0204 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0204 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1582 4.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1582 4.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7293 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7293 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6083 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6083 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0737 -1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0737 -1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1026 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1026 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5108 -2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5108 -2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0757 -2.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0757 -2.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4458 -3.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4458 -3.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0076 -4.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0076 -4.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8312 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8312 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2013 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2013 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7479 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7479 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1483 -4.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1483 -4.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6724 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6724 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0736 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0736 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6104 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6104 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3915 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3915 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6455 0.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6455 0.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1086 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1086 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3540 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3540 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9060 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9060 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7942 -0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7942 -0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4425 -0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4425 -0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8442 -0.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8442 -0.4909 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 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 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 36 35 1 1 0 0 0 | + | 36 35 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
| − | 43 22 1 0 0 0 0 | + | 43 22 1 0 0 0 0 |
| − | 36 19 1 0 0 0 0 | + | 36 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0104 | + | ID FL5FAAGS0104 |
| − | KNApSAcK_ID C00013771 | + | KNApSAcK_ID C00013771 |
| − | NAME Kaempferol 3-(2''-(Z)-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(2''-(Z)-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one |
| − | CAS_RN 189098-16-6 | + | CAS_RN 189098-16-6 |
| − | FORMULA C30H26O13 | + | FORMULA C30H26O13 |
| − | EXACTMASS 594.137340918 | + | EXACTMASS 594.137340918 |
| − | AVERAGEMASS 594.51964 | + | AVERAGEMASS 594.51964 |
| − | SMILES c(c15)c(cc(c1C(C(=C(O5)c(c4)ccc(O)c4)OC(C(OC(C=Cc(c3)ccc(c3)O)=O)2)OC(CO)C(O)C2O)=O)O)O | + | SMILES c(c15)c(cc(c1C(C(=C(O5)c(c4)ccc(O)c4)OC(C(OC(C=Cc(c3)ccc(c3)O)=O)2)OC(CO)C(O)C2O)=O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
1.1286 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 4.6203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 3.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.9703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.7328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1582 3.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0204 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1582 4.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6083 -1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0737 -1.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1026 -1.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5108 -2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0757 -2.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4458 -3.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0076 -4.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8312 -4.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2013 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7479 -2.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1483 -4.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6724 -0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0736 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6104 0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 0.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6455 0.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1086 0.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3540 0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9060 0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7942 -0.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4425 -0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8442 -0.4909 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
22 23 2 0 0 0 0
22 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 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
43 22 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 8
ID FL5FAAGS0104
KNApSAcK_ID C00013771
NAME Kaempferol 3-(2''-(Z)-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[(2Z)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN 189098-16-6
FORMULA C30H26O13
EXACTMASS 594.137340918
AVERAGEMASS 594.51964
SMILES c(c15)c(cc(c1C(C(=C(O5)c(c4)ccc(O)c4)OC(C(OC(C=Cc(c3)ccc(c3)O)=O)2)OC(CO)C(O)C2O)=O)O)O
M END
