Mol:FL7AACGL0097
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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| − | 88 90 1 0 0 0 0 | + | 88 90 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0097 | + | ID FL7AACGL0097 |
| − | KNApSAcK_ID C00011096 | + | KNApSAcK_ID C00011096 |
| − | NAME Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside] | + | NAME Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside] |
| − | CAS_RN 190279-21-1 | + | CAS_RN 190279-21-1 |
| − | FORMULA C58H63O32 | + | FORMULA C58H63O32 |
| − | EXACTMASS 1271.33024492 | + | EXACTMASS 1271.33024492 |
| − | AVERAGEMASS 1272.10162 | + | AVERAGEMASS 1272.10162 |
| − | SMILES O(c(c5)c(c(c6)ccc(c6OC(O7)C(O)C(O)C(O)C(COC(=O)C=Cc(c8)cc(OC)c(c(OC)8)O)7)O)[o+1]c(c45)cc(cc(O)4)OC(O2)C(O)C(O)C(C(COC(C=Cc(c3)cc(c(c(OC)3)O)OC)=O)2)O)C(O1)C(C(O)C(O)C1COC(CC(O)=O)=O)O | + | SMILES O(c(c5)c(c(c6)ccc(c6OC(O7)C(O)C(O)C(O)C(COC(=O)C=Cc(c8)cc(OC)c(c(OC)8)O)7)O)[o+1]c(c45)cc(cc(O)4)OC(O2)C(O)C(O)C(C(COC(C=Cc(c3)cc(c(c(OC)3)O)OC)=O)2)O)C(O1)C(C(O)C(O)C1COC(CC(O)=O)=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 FL7AACGL0097
KNApSAcK_ID C00011096
NAME Cyanidin 3-O-[6-O-(malonyl)-beta-D-glucopyranoside]-7,3'-di-O-[6-O-(sinapyl)-beta-D-glucopyranoside]
CAS_RN 190279-21-1
FORMULA C58H63O32
EXACTMASS 1271.33024492
AVERAGEMASS 1272.10162
SMILES O(c(c5)c(c(c6)ccc(c6OC(O7)C(O)C(O)C(O)C(COC(=O)C=Cc(c8)cc(OC)c(c(OC)8)O)7)O)[o+1]c(c45)cc(cc(O)4)OC(O2)C(O)C(O)C(C(COC(C=Cc(c3)cc(c(c(OC)3)O)OC)=O)2)O)C(O1)C(C(O)C(O)C1COC(CC(O)=O)=O)O
M END
