Mol:FL5FACGS0117
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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| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 65 60 1 0 0 0 0 | + | 65 60 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | 52 56 1 0 0 0 0 | + | 52 56 1 0 0 0 0 |
| − | 62 67 1 0 0 0 0 | + | 62 67 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0117 | + | ID FL5FACGS0117 |
| − | KNApSAcK_ID C00013889 | + | KNApSAcK_ID C00013889 |
| − | NAME Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one | + | NAME Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 247576-99-4 | + | CAS_RN 247576-99-4 |
| − | FORMULA C42H46O25 | + | FORMULA C42H46O25 |
| − | EXACTMASS 950.2328170220001 | + | EXACTMASS 950.2328170220001 |
| − | AVERAGEMASS 950.79964 | + | AVERAGEMASS 950.79964 |
| − | SMILES Oc(c1)c(O)ccc1C(O4)=C(C(=O)c(c(O)5)c(cc(OC(O6)C(C(O)C(O)C(COC(=O)C=Cc(c7)cc(O)c(O)c7)6)O)c5)4)OC(O3)C(C(C(C(CO)3)O)O)OC(C2O)OC(C(C2O)O)CO | + | SMILES Oc(c1)c(O)ccc1C(O4)=C(C(=O)c(c(O)5)c(cc(OC(O6)C(C(O)C(O)C(COC(=O)C=Cc(c7)cc(O)c(O)c7)6)O)c5)4)OC(O3)C(C(C(C(CO)3)O)O)OC(C2O)OC(C(C2O)O)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
5.5676 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8531 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8531 2.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5676 2.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2820 2.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2820 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1386 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 1.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7097 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.9952 1.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 1.3361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 0.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9952 0.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4242 -0.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL5FACGS0117
KNApSAcK_ID C00013889
NAME Quercetin 3-sophoroside-7-(6''-(E)-caffeoylglucoside);2-(3,4-Dihydroxyphenyl)-7-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 247576-99-4
FORMULA C42H46O25
EXACTMASS 950.2328170220001
AVERAGEMASS 950.79964
SMILES Oc(c1)c(O)ccc1C(O4)=C(C(=O)c(c(O)5)c(cc(OC(O6)C(C(O)C(O)C(COC(=O)C=Cc(c7)cc(O)c(O)c7)6)O)c5)4)OC(O3)C(C(C(C(CO)3)O)O)OC(C2O)OC(C(C2O)O)CO
M END
