Mol:FL7AAIGL0039
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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| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 47 49 1 0 0 0 0 | + | 47 49 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAIGL0039 | + | ID FL7AAIGL0039 |
| − | KNApSAcK_ID C00014830 | + | KNApSAcK_ID C00014830 |
| − | NAME Malvidin 3-glucoside-5-(6-acetylglucoside) | + | NAME Malvidin 3-glucoside-5-(6-acetylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C30H35O19 | + | FORMULA C30H35O19 |
| − | EXACTMASS 699.1772539379999 | + | EXACTMASS 699.1772539379999 |
| − | AVERAGEMASS 699.5875000000001 | + | AVERAGEMASS 699.5875000000001 |
| − | SMILES O(C(O5)C(C(C(O)C(CO)5)O)O)c(c(c(c4)cc(c(O)c4OC)OC)1)cc(c2OC(C(O)3)OC(COC(O)=O)C(C3O)O)c(cc(O)c2)[o+1]1 | + | SMILES O(C(O5)C(C(C(O)C(CO)5)O)O)c(c(c(c4)cc(c(O)c4OC)OC)1)cc(c2OC(C(O)3)OC(COC(O)=O)C(C3O)O)c(cc(O)c2)[o+1]1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
49 53 0 0 0 0 0 0 0 0999 V2000
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0.0611 0.9713 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAIGL0039
KNApSAcK_ID C00014830
NAME Malvidin 3-glucoside-5-(6-acetylglucoside)
CAS_RN -
FORMULA C30H35O19
EXACTMASS 699.1772539379999
AVERAGEMASS 699.5875000000001
SMILES O(C(O5)C(C(C(O)C(CO)5)O)O)c(c(c(c4)cc(c(O)c4OC)OC)1)cc(c2OC(C(O)3)OC(COC(O)=O)C(C3O)O)c(cc(O)c2)[o+1]1
M END
