Mol:FL1C3CGS0022
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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| − | 42 47 1 0 0 0 0 | + | 42 47 1 0 0 0 0 |
| − | 26 36 1 0 0 0 0 | + | 26 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0022 | + | ID FL1C3CGS0022 |
| − | KNApSAcK_ID C00014510 | + | KNApSAcK_ID C00014510 |
| − | NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) | + | NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside) |
| − | CAS_RN 142628-30-6 | + | CAS_RN 142628-30-6 |
| − | FORMULA C32H30O15 | + | FORMULA C32H30O15 |
| − | EXACTMASS 654.15847029 | + | EXACTMASS 654.15847029 |
| − | AVERAGEMASS 654.5716 | + | AVERAGEMASS 654.5716 |
| − | SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O | + | SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=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/
47 50 0 0 0 0 0 0 0 0999 V2000
0.7575 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7575 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1864 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4720 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6154 -0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6154 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3299 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 0.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 0.5713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7588 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0443 1.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3299 1.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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26 36 1 0 0 0 0
S SKP 8
ID FL1C3CGS0022
KNApSAcK_ID C00014510
NAME Okanin 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside);3,4,2',3',4'-Pentahydroxychalcone 4'-O-(2''-O-caffeoyl-6''-O-acetylglucoside)
CAS_RN 142628-30-6
FORMULA C32H30O15
EXACTMASS 654.15847029
AVERAGEMASS 654.5716
SMILES c(c3O)(c(ccc(C(C=Cc(c4)cc(O)c(O)c4)=O)3)OC(C(OC(=O)C=Cc(c2)ccc(c(O)2)O)1)OC(C(O)C1O)COC(C)=O)O
M END
