Mol:FL7AAGGL0065
From Metabolomics.JP
(Difference between revisions)
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| − | 36 20 1 0 0 0 0 | + | 36 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0065 | + | ID FL7AAGGL0065 |
| − | KNApSAcK_ID C00014816 | + | KNApSAcK_ID C00014816 |
| − | NAME Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside) | + | NAME Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside) |
| − | CAS_RN 138752-16-6 | + | CAS_RN 138752-16-6 |
| − | FORMULA C39H39O22 | + | FORMULA C39H39O22 |
| − | EXACTMASS 859.193297932 | + | EXACTMASS 859.193297932 |
| − | AVERAGEMASS 859.7137600000001 | + | AVERAGEMASS 859.7137600000001 |
| − | SMILES c(c1c([o+1]4)c(cc(c5OC(O6)C(O)C(O)C(O)C(COC(CC(O)=O)=O)6)c4cc(c5)O)OC(C(O)3)OC(C(O)C(O)3)COC(C=Cc(c2)ccc(O)c2)=O)c(O)c(O)c(c1)O | + | SMILES c(c1c([o+1]4)c(cc(c5OC(O6)C(O)C(O)C(O)C(COC(CC(O)=O)=O)6)c4cc(c5)O)OC(C(O)3)OC(C(O)C(O)3)COC(C=Cc(c2)ccc(O)c2)=O)c(O)c(O)c(c1)O |
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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3.9756 3.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2611 3.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0065
KNApSAcK_ID C00014816
NAME Delphinidin 3-(6-(Z)-p-coumaroylglucoside)-5-(6-malonylglucoside)
CAS_RN 138752-16-6
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES c(c1c([o+1]4)c(cc(c5OC(O6)C(O)C(O)C(O)C(COC(CC(O)=O)=O)6)c4cc(c5)O)OC(C(O)3)OC(C(O)C(O)3)COC(C=Cc(c2)ccc(O)c2)=O)c(O)c(O)c(c1)O
M END
