Mol:FL7AAGGA0012
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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− | 83 21 1 0 0 0 0 | + | 83 21 1 0 0 0 0 |
− | M CHG 1 10 1 | + | M CHG 1 10 1 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL7AAGGA0012 | + | ID FL7AAGGA0012 |
− | FORMULA C57H61O34 | + | FORMULA C57H61O34 |
− | EXACTMASS 1289.3044241 | + | EXACTMASS 1289.3044241 |
− | AVERAGEMASS 1290.07384 | + | AVERAGEMASS 1290.07384 |
− | SMILES c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(O)C1O | + | SMILES c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
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0 0 0 0 M CHG 1 10 1 S SKP 5 ID FL7AAGGA0012 FORMULA C57H61O34 EXACTMASS 1289.3044241 AVERAGEMASS 1290.07384 SMILES c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(O)C1O M END