Mol:FL5FAAGS0076
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | 2.0127 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0127 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0127 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0127 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7272 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7272 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4416 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4416 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4416 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4416 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7272 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7272 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.1307 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1307 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5837 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5837 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2982 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2982 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5597 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5597 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5837 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5837 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2741 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2741 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9045 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9045 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0423 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0423 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1733 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1733 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9038 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9038 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7270 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7270 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9856 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9856 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2550 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2550 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4317 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4317 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8402 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8402 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5441 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5441 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6364 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6364 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6269 -1.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6269 -1.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3594 -0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3594 -0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8763 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8763 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4638 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4638 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6657 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6657 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8725 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8725 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2849 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2849 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0831 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0831 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2400 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2400 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7197 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7197 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3594 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3594 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9123 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9123 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8371 -0.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8371 -0.5059 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 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 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 |
| − | 36 18 1 0 0 0 0 | + | 36 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0076 | + | ID FL5FAAGS0076 |
| − | KNApSAcK_ID C00013743 | + | KNApSAcK_ID C00013743 |
| − | NAME Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one | + | NAME Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 87338-64-5 | + | CAS_RN 87338-64-5 |
| − | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
| − | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
| − | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
| − | SMILES C(C(O1)C(O)C(C(O)C1Oc(c5)cc(c(c(O)5)2)OC(c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)=C(O)C2=O)O)O | + | SMILES C(C(O1)C(O)C(C(O)C1Oc(c5)cc(c(c(O)5)2)OC(c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)=C(O)C2=O)O)O |
M END | M END | ||
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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
2.0127 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0127 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7272 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4416 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4416 1.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7272 1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2982 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1307 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2982 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 0.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5837 -1.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2741 0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9045 -1.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0423 1.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1733 -1.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9038 -0.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7270 0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 0.9382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2550 0.5549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4317 -0.2510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8402 -0.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 -0.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6364 -1.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6269 -1.0888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3594 -0.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8763 0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4638 -0.0752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6657 0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8725 -0.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2849 0.6216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0831 0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2400 0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7197 1.2752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3594 0.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9123 0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8371 -0.5059 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 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 20 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
36 18 1 0 0 0 0
S SKP 8
ID FL5FAAGS0076
KNApSAcK_ID C00013743
NAME Kaempferol 7,4'-diglucoside;7-(beta-D-Glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 87338-64-5
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES C(C(O1)C(O)C(C(O)C1Oc(c5)cc(c(c(O)5)2)OC(c(c3)ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)=C(O)C2=O)O)O
M END
