Mol:FL7AAGGL0061
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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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0061 | + | ID FL7AAGGL0061 |
| − | KNApSAcK_ID C00014812 | + | KNApSAcK_ID C00014812 |
| − | NAME Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside) | + | NAME Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside) |
| − | CAS_RN 799854-16-3 | + | CAS_RN 799854-16-3 |
| − | FORMULA C58H63O33 | + | FORMULA C58H63O33 |
| − | EXACTMASS 1287.325159542 | + | EXACTMASS 1287.325159542 |
| − | AVERAGEMASS 1288.10102 | + | AVERAGEMASS 1288.10102 |
| − | SMILES OC(C1Oc(c(c(c8)cc(c(c(O)8)O)OC(O6)C(O)C(O)C(O)C6COC(C=Cc(c7)cc(c(O)c7OC)OC)=O)5)cc(c([o+1]5)2)c(O)cc(OC(O3)C(O)C(O)C(C3COC(=O)C=Cc(c4)cc(OC)c(O)c4OC)O)c2)C(O)C(O)C(O1)COC(=O)CC(O)=O | + | SMILES OC(C1Oc(c(c(c8)cc(c(c(O)8)O)OC(O6)C(O)C(O)C(O)C6COC(C=Cc(c7)cc(c(O)c7OC)OC)=O)5)cc(c([o+1]5)2)c(O)cc(OC(O3)C(O)C(O)C(C3COC(=O)C=Cc(c4)cc(OC)c(O)c4OC)O)c2)C(O)C(O)C(O1)COC(=O)CC(O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
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S SKP 8
ID FL7AAGGL0061
KNApSAcK_ID C00014812
NAME Delphinidin 3-(6-malonylglucoside)-7,3'-di-(6-sinapoylglucoside)
CAS_RN 799854-16-3
FORMULA C58H63O33
EXACTMASS 1287.325159542
AVERAGEMASS 1288.10102
SMILES OC(C1Oc(c(c(c8)cc(c(c(O)8)O)OC(O6)C(O)C(O)C(O)C6COC(C=Cc(c7)cc(c(O)c7OC)OC)=O)5)cc(c([o+1]5)2)c(O)cc(OC(O3)C(O)C(O)C(C3COC(=O)C=Cc(c4)cc(OC)c(O)c4OC)O)c2)C(O)C(O)C(O1)COC(=O)CC(O)=O
M END
