Mol:FL5FAAGS0138
From Metabolomics.JP
(Difference between revisions)
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| − | 58 54 1 0 0 0 0 | + | 58 54 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
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| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 70 71 2 0 0 0 0 | + | 70 71 2 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 72 73 2 0 0 0 0 | + | 72 73 2 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 74 75 2 0 0 0 0 | + | 74 75 2 0 0 0 0 |
| − | 75 70 1 0 0 0 0 | + | 75 70 1 0 0 0 0 |
| − | 73 76 1 0 0 0 0 | + | 73 76 1 0 0 0 0 |
| − | 72 77 1 0 0 0 0 | + | 72 77 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0138 | + | ID FL5FAAGS0138 |
| − | KNApSAcK_ID C00013805 | + | KNApSAcK_ID C00013805 |
| − | NAME Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 220342-45-0 | + | CAS_RN 220342-45-0 |
| − | FORMULA C48H56O29 | + | FORMULA C48H56O29 |
| − | EXACTMASS 1096.29072583 | + | EXACTMASS 1096.29072583 |
| − | AVERAGEMASS 1096.94084 | + | AVERAGEMASS 1096.94084 |
| − | SMILES C(O)(C(O)2)C(C(OC2Oc(c8)cc(O)c(c83)C(C(OC(C(OC(C6OC(=O)C=Cc(c7)ccc(c7O)O)OC(C(C6O)O)CO)5)OC(CO)C(C(O)5)O)=C(c(c4)ccc(c4)O)O3)=O)CO)OC(C1O)OC(C(O)C(O)1)CO | + | SMILES C(O)(C(O)2)C(C(OC2Oc(c8)cc(O)c(c83)C(C(OC(C(OC(C6OC(=O)C=Cc(c7)ccc(c7O)O)OC(C(C6O)O)CO)5)OC(CO)C(C(O)5)O)=C(c(c4)ccc(c4)O)O3)=O)CO)OC(C1O)OC(C(O)C(O)1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
4.1197 4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1197 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8342 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5487 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5487 4.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8342 4.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 3.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 3.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 3.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5474 2.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2618 1.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6908 1.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FAAGS0138
KNApSAcK_ID C00013805
NAME Kaempferol 3-(2'''-(E)-caffeoylglucosyl)-(1->2)-glucoside-7-cellobioside;3-[[2-O-[2-O-[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-7-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 220342-45-0
FORMULA C48H56O29
EXACTMASS 1096.29072583
AVERAGEMASS 1096.94084
SMILES C(O)(C(O)2)C(C(OC2Oc(c8)cc(O)c(c83)C(C(OC(C(OC(C6OC(=O)C=Cc(c7)ccc(c7O)O)OC(C(C6O)O)CO)5)OC(CO)C(C(O)5)O)=C(c(c4)ccc(c4)O)O3)=O)CO)OC(C1O)OC(C(O)C(O)1)CO
M END
