Mol:FL7AACGL0059
From Metabolomics.JP
(Difference between revisions)
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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0059 | + | ID FL7AACGL0059 |
| − | KNApSAcK_ID C00006830 | + | KNApSAcK_ID C00006830 |
| − | NAME Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside) | + | NAME Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside) |
| − | CAS_RN 150447-30-6 | + | CAS_RN 150447-30-6 |
| − | FORMULA C39H39O22 | + | FORMULA C39H39O22 |
| − | EXACTMASS 859.193297932 | + | EXACTMASS 859.193297932 |
| − | AVERAGEMASS 859.7137600000001 | + | AVERAGEMASS 859.7137600000001 |
| − | SMILES c(c13)c(O)cc(c1cc(c(c(c4)cc(OC(C(O)6)OC(C(O)C(O)6)COC(=O)C=Cc(c5)cc(O)c(O)c5)c(O)c4)[o+1]3)OC(C2O)OC(C(C2O)O)COC(=O)CC(O)=O)O | + | SMILES c(c13)c(O)cc(c1cc(c(c(c4)cc(OC(C(O)6)OC(C(O)C(O)6)COC(=O)C=Cc(c5)cc(O)c(O)c5)c(O)c4)[o+1]3)OC(C2O)OC(C(C2O)O)COC(=O)CC(O)=O)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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S SKP 8
ID FL7AACGL0059
KNApSAcK_ID C00006830
NAME Cyanidin 3-(6''-malonylglucoside-3'-(6'''-caffeylglucoside)
CAS_RN 150447-30-6
FORMULA C39H39O22
EXACTMASS 859.193297932
AVERAGEMASS 859.7137600000001
SMILES c(c13)c(O)cc(c1cc(c(c(c4)cc(OC(C(O)6)OC(C(O)C(O)6)COC(=O)C=Cc(c5)cc(O)c(O)c5)c(O)c4)[o+1]3)OC(C2O)OC(C(C2O)O)COC(=O)CC(O)=O)O
M END
