Mol:FL7AACGL0054
From Metabolomics.JP
(Difference between revisions)
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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0054 | + | ID FL7AACGL0054 |
| − | KNApSAcK_ID C00006825 | + | KNApSAcK_ID C00006825 |
| − | NAME Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) | + | NAME Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C39H39O22 | + | FORMULA C39H39O22 |
| − | EXACTMASS 859.193297932 | + | EXACTMASS 859.193297932 |
| − | AVERAGEMASS 859.7137600000001 | + | AVERAGEMASS 859.7137600000001 |
| − | SMILES O(C(O6)C(O)C(O)C(O)C6COC(CC(O)=O)=O)c(c1)c(c2)c([o+1]c(c(c5)cc(c(c5)O)O)c2OC(O3)C(C(C(C(COC(C=Cc(c4)ccc(O)c4O)=O)3)O)O)O)cc1O | + | SMILES O(C(O6)C(O)C(O)C(O)C6COC(CC(O)=O)=O)c(c1)c(c2)c([o+1]c(c(c5)cc(c(c5)O)O)c2OC(O3)C(C(C(C(COC(C=Cc(c4)ccc(O)c4O)=O)3)O)O)O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
61 66 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AACGL0054
KNApSAcK_ID C00006825
NAME Cyanidin 3-(6''-caffeylglucoside)-5-(6'''-malonylglucoside)
CAS_RN -
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES O(C(O6)C(O)C(O)C(O)C6COC(CC(O)=O)=O)c(c1)c(c2)c([o+1]c(c(c5)cc(c(c5)O)O)c2OC(O3)C(C(C(C(COC(C=Cc(c4)ccc(O)c4O)=O)3)O)O)O)cc1O
M END
