Mol:FL5FAAGS0094
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 53 58 0 0 0 0 0 0 0 0999 V2000 | + | 53 58 0 0 0 0 0 0 0 0999 V2000 |
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| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 36 42 1 0 0 0 0 | + | 36 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 32 45 1 0 0 0 0 | + | 32 45 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 48 51 1 0 0 0 0 | + | 48 51 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 46 53 1 0 0 0 0 | + | 46 53 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0094 | + | ID FL5FAAGS0094 |
| − | KNApSAcK_ID C00013761 | + | KNApSAcK_ID C00013761 |
| − | NAME Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 189883-00-9 | + | CAS_RN 189883-00-9 |
| − | FORMULA C33H40O20 | + | FORMULA C33H40O20 |
| − | EXACTMASS 756.21129372 | + | EXACTMASS 756.21129372 |
| − | AVERAGEMASS 756.6587 | + | AVERAGEMASS 756.6587 |
| − | SMILES C(=C(c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)1)(OC(C(OC(O4)C(O)C(O)C(O)C4C)3)OC(CO)C(O)C(O)3)C(=O)c(c(O)2)c(cc(c2)O)O1 | + | SMILES C(=C(c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)1)(OC(C(OC(O4)C(O)C(O)C(O)C4C)3)OC(CO)C(O)C(O)3)C(=O)c(c(O)2)c(cc(c2)O)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
-0.3195 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3195 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1095 2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3950 3.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 1.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4629 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7484 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 1.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8918 1.4726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8918 0.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1773 0.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4276 0.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7102 3.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.5721 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1670 -0.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1093 -1.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.6900 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4138 -1.7347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2813 -2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1237 -3.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.9639 -1.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4004 -0.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9687 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2706 2.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.6865 1.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3846 2.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5772 2.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7063 -0.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0063 -0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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37 38 1 0 0 0 0
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45 46 1 1 0 0 0
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48 49 1 0 0 0 0
49 44 1 0 0 0 0
32 45 1 0 0 0 0
47 50 1 0 0 0 0
48 51 1 0 0 0 0
49 52 1 0 0 0 0
46 53 1 0 0 0 0
S SKP 8
ID FL5FAAGS0094
KNApSAcK_ID C00013761
NAME Kaempferol 3-neohesperidoside-4'-glucoside;3-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one
CAS_RN 189883-00-9
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES C(=C(c(c5)ccc(OC(O6)C(C(C(O)C6CO)O)O)c5)1)(OC(C(OC(O4)C(O)C(O)C(O)C4C)3)OC(CO)C(O)C(O)3)C(=O)c(c(O)2)c(cc(c2)O)O1
M END
