Mol:FL7AAGGL0069
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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| − | 52 55 1 0 0 0 0 | + | 52 55 1 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 FL7AAGGL0069 | + | ID FL7AAGGL0069 |
| − | KNApSAcK_ID C00014820 | + | KNApSAcK_ID C00014820 |
| − | NAME Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) | + | NAME Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside) |
| − | CAS_RN 178737-74-1 | + | CAS_RN 178737-74-1 |
| − | FORMULA C36H37O19 | + | FORMULA C36H37O19 |
| − | EXACTMASS 773.192904002 | + | EXACTMASS 773.192904002 |
| − | AVERAGEMASS 773.66758 | + | AVERAGEMASS 773.66758 |
| − | SMILES OC(C6CO)C(C(O)C(O6)Oc(c5)c([o+1]c(c25)cc(cc2OC(C4O)OC(C(O)C4O)COC(C=Cc(c3)ccc(c3)O)=O)O)c(c1)cc(O)c(c1O)O)O | + | SMILES OC(C6CO)C(C(O)C(O6)Oc(c5)c([o+1]c(c25)cc(cc2OC(C4O)OC(C(O)C4O)COC(C=Cc(c3)ccc(c3)O)=O)O)c(c1)cc(O)c(c1O)O)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/
55 60 0 0 0 0 0 0 0 0999 V2000
0.4461 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.1606 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8750 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8750 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1606 0.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5895 -0.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3040 -0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3040 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5895 0.8155 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
4.0805 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7950 0.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5095 0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5095 1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7950 2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0805 1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1496 2.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.5401 -1.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9795 -2.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0069
KNApSAcK_ID C00014820
NAME Delphinidin 3-glucoside-5-(6-(E)-p-coumaroylglucoside)
CAS_RN 178737-74-1
FORMULA C36H37O19
EXACTMASS 773.192904002
AVERAGEMASS 773.66758
SMILES OC(C6CO)C(C(O)C(O6)Oc(c5)c([o+1]c(c25)cc(cc2OC(C4O)OC(C(O)C4O)COC(C=Cc(c3)ccc(c3)O)=O)O)c(c1)cc(O)c(c1O)O)O
M END
