Mol:FL5FAAGS0111
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 |
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| − | 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 |
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| − | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
| − | 38 41 1 0 0 0 0 | + | 38 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 33 43 1 0 0 0 0 | + | 33 43 1 0 0 0 0 |
| − | 40 44 1 0 0 0 0 | + | 40 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 42 22 1 0 0 0 0 | + | 42 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 FL5FAAGS0111 | + | ID FL5FAAGS0111 |
| − | KNApSAcK_ID C00013778 | + | KNApSAcK_ID C00013778 |
| − | NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 557765-92-1 | + | CAS_RN 557765-92-1 |
| − | FORMULA C32H28O14 | + | FORMULA C32H28O14 |
| − | EXACTMASS 636.147905604 | + | EXACTMASS 636.147905604 |
| − | AVERAGEMASS 636.55632 | + | AVERAGEMASS 636.55632 |
| − | SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O | + | SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
46 50 0 0 0 0 0 0 0 0999 V2000
1.1286 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5575 4.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 4.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 3.2702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3004 1.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4141 2.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7293 3.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4438 2.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2422 -1.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0978 -2.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9259 -2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2653 -3.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.2659 -0.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0874 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2312 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9473 0.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8034 -0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4698 -2.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3782 -2.1983 0.0000 C 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
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6 1 1 0 0 0 0
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5 20 1 0 0 0 0
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29 32 1 0 0 0 0
33 34 1 1 0 0 0
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38 33 1 0 0 0 0
35 39 1 0 0 0 0
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38 41 1 0 0 0 0
41 42 1 0 0 0 0
33 43 1 0 0 0 0
40 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
42 22 1 0 0 0 0
36 19 1 0 0 0 0
S SKP 8
ID FL5FAAGS0111
KNApSAcK_ID C00013778
NAME Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 557765-92-1
FORMULA C32H28O14
EXACTMASS 636.147905604
AVERAGEMASS 636.55632
SMILES C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O
M END
