Mol:FL3FFAGS0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 37 33 1 0 0 0 0 | + | 37 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FFAGS0018 | + | ID FL3FFAGS0018 |
| − | KNApSAcK_ID C00013647 | + | KNApSAcK_ID C00013647 |
| − | NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one | + | NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 113791-55-2 | + | CAS_RN 113791-55-2 |
| − | FORMULA C28H32O16 | + | FORMULA C28H32O16 |
| − | EXACTMASS 624.1690349759999 | + | EXACTMASS 624.1690349759999 |
| − | AVERAGEMASS 624.54408 | + | AVERAGEMASS 624.54408 |
| − | SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)1 | + | SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)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
-0.4283 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 0.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5730 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5730 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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37 33 1 0 0 0 0
S SKP 8
ID FL3FFAGS0018
KNApSAcK_ID C00013647
NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 113791-55-2
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)1
M END
