Mol:FL3FCACS0031
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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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCACS0031 | + | ID FL3FCACS0031 |
| − | KNApSAcK_ID C00014094 | + | KNApSAcK_ID C00014094 |
| − | NAME Isoswertisin 2''-O-(2'''-methylbutyrate) | + | NAME Isoswertisin 2''-O-(2'''-methylbutyrate) |
| − | CAS_RN 681152-39-6 | + | CAS_RN 681152-39-6 |
| − | FORMULA C27H30O11 | + | FORMULA C27H30O11 |
| − | EXACTMASS 530.1788118019999 | + | EXACTMASS 530.1788118019999 |
| − | AVERAGEMASS 530.5205000000001 | + | AVERAGEMASS 530.5205000000001 |
| − | SMILES OC(C4O)C(OC(C4OC(C(C)CC)=O)c(c1OC)c(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c(O)c1)CO | + | SMILES OC(C4O)C(OC(C4OC(C(C)CC)=O)c(c1OC)c(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c(O)c1)CO |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
1.3319 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL3FCACS0031
KNApSAcK_ID C00014094
NAME Isoswertisin 2''-O-(2'''-methylbutyrate)
CAS_RN 681152-39-6
FORMULA C27H30O11
EXACTMASS 530.1788118019999
AVERAGEMASS 530.5205000000001
SMILES OC(C4O)C(OC(C4OC(C(C)CC)=O)c(c1OC)c(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c(O)c1)CO
M END
