Mol:FL3FAAGS0069
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 |
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| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
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| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
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| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 |
| − | 33 40 1 0 0 0 0 | + | 33 40 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 41 1 0 0 0 0 | + | 35 41 1 0 0 0 0 |
| − | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
| − | 21 39 1 0 0 0 0 | + | 21 39 1 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0069 | + | ID FL3FAAGS0069 |
| − | KNApSAcK_ID C00013619 | + | KNApSAcK_ID C00013619 |
| − | NAME Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 474766-92-2 | + | CAS_RN 474766-92-2 |
| − | FORMULA C32H28O13 | + | FORMULA C32H28O13 |
| − | EXACTMASS 620.152990982 | + | EXACTMASS 620.152990982 |
| − | AVERAGEMASS 620.55692 | + | AVERAGEMASS 620.55692 |
| − | SMILES c(c5)c(ccc(O)5)C=CC(=O)OCC(O1)C(O)C(C(C1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)O)OC(C)=O | + | SMILES c(c5)c(ccc(O)5)C=CC(=O)OCC(O1)C(O)C(C(C1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)O)OC(C)=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/
45 49 0 0 0 0 0 0 0 0999 V2000
1.2186 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2186 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 -1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6475 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -1.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 -1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0764 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 0.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5054 -0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2199 0.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2199 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5054 1.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7909 0.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3620 -2.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 -2.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9662 1.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4990 0.0116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 1 0 0 0 0
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7 17 2 0 0 0 0
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14 19 1 0 0 0 0
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22 24 1 0 0 0 0
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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
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36 35 1 1 0 0 0
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37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
33 40 1 0 0 0 0
34 42 1 0 0 0 0
35 41 1 0 0 0 0
36 20 1 0 0 0 0
21 39 1 0 0 0 0
42 44 1 0 0 0 0
43 44 2 0 0 0 0
44 45 1 0 0 0 0
S SKP 8
ID FL3FAAGS0069
KNApSAcK_ID C00013619
NAME Apigenin 7-(3''-acetyl-6''-E-p-coumaroylglucoside);7-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 474766-92-2
FORMULA C32H28O13
EXACTMASS 620.152990982
AVERAGEMASS 620.55692
SMILES c(c5)c(ccc(O)5)C=CC(=O)OCC(O1)C(O)C(C(C1Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3)O)=CC2=O)O)OC(C)=O
M END
