Mol:FL5FAAGS0106
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 41 36 1 0 0 0 0 | + | 41 36 1 0 0 0 0 |
| − | 39 42 1 0 0 0 0 | + | 39 42 1 0 0 0 0 |
| − | 38 43 1 0 0 0 0 | + | 38 43 1 0 0 0 0 |
| − | 24 44 1 0 0 0 0 | + | 24 44 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0106 | + | ID FL5FAAGS0106 |
| − | KNApSAcK_ID C00013773 | + | KNApSAcK_ID C00013773 |
| − | NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 190328-43-9 | + | CAS_RN 190328-43-9 |
| − | FORMULA C30H26O14 | + | FORMULA C30H26O14 |
| − | EXACTMASS 610.13225554 | + | EXACTMASS 610.13225554 |
| − | AVERAGEMASS 610.51904 | + | AVERAGEMASS 610.51904 |
| − | SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 | + | SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
1.2666 4.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2666 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9811 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6956 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6956 4.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9811 4.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5522 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5912 3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 2.7915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3057 1.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5912 1.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1623 0.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0202 3.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1585 1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5912 0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.2565 -0.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6970 0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4316 0.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6424 0.6606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2018 -0.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3936 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.0326 -1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0326 -2.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7471 -2.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0113 -0.5002 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
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4 5 1 0 0 0 0
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6 1 1 0 0 0 0
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12 7 2 0 0 0 0
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23 24 1 1 0 0 0
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27 22 1 0 0 0 0
27 28 1 0 0 0 0
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22 30 1 0 0 0 0
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25 19 1 0 0 0 0
29 32 1 0 0 0 0
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37 38 1 0 0 0 0
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39 40 1 0 0 0 0
40 41 2 0 0 0 0
41 36 1 0 0 0 0
39 42 1 0 0 0 0
38 43 1 0 0 0 0
24 44 1 0 0 0 0
S SKP 8
ID FL5FAAGS0106
KNApSAcK_ID C00013773
NAME Kaempferol 3-(6''-caffeoylglucoside);3-[[6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 190328-43-9
FORMULA C30H26O14
EXACTMASS 610.13225554
AVERAGEMASS 610.51904
SMILES C(OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)(C(O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2O)C(O)C(O)1
M END
