Mol:FL7AACGL0027
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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| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 37 40 2 0 0 0 0 | + | 37 40 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0027 | + | ID FL7AACGL0027 |
| − | KNApSAcK_ID C00006797 | + | KNApSAcK_ID C00006797 |
| − | NAME Cyanidin 3-(6''-malylglucoside) | + | NAME Cyanidin 3-(6''-malylglucoside) |
| − | CAS_RN 104934-16-9 | + | CAS_RN 104934-16-9 |
| − | FORMULA C25H25O15 | + | FORMULA C25H25O15 |
| − | EXACTMASS 565.11934513 | + | EXACTMASS 565.11934513 |
| − | AVERAGEMASS 565.457 | + | AVERAGEMASS 565.457 |
| − | SMILES OC(C1O)C(O)C(COC(C(CC(O)=O)O)=O)OC1Oc(c4)c([o+1]c(c43)cc(cc3O)O)c(c2)cc(c(c2)O)O | + | SMILES OC(C1O)C(O)C(COC(C(CC(O)=O)O)=O)OC1Oc(c4)c([o+1]c(c43)cc(cc3O)O)c(c2)cc(c(c2)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
40 43 0 0 0 0 0 0 0 0999 V2000
-3.8844 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7718 0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7718 1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3281 1.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.6592 0.4222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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35 36 1 0 0 0 0
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37 39 1 0 0 0 0
37 40 2 0 0 0 0
S SKP 8
ID FL7AACGL0027
KNApSAcK_ID C00006797
NAME Cyanidin 3-(6''-malylglucoside)
CAS_RN 104934-16-9
FORMULA C25H25O15
EXACTMASS 565.11934513
AVERAGEMASS 565.457
SMILES OC(C1O)C(O)C(COC(C(CC(O)=O)O)=O)OC1Oc(c4)c([o+1]c(c43)cc(cc3O)O)c(c2)cc(c(c2)O)O
M END
