Mol:FL7AACGO0007
From Metabolomics.JP
(Difference between revisions)
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| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGS0007 | + | ID FL7AACGS0007 |
| − | KNApSAcK_ID C00014775 | + | KNApSAcK_ID C00014775 |
| − | NAME Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside | + | NAME Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside |
| − | CAS_RN 651768-28-4 | + | CAS_RN 651768-28-4 |
| − | FORMULA C36H43O24 | + | FORMULA C36H43O24 |
| − | EXACTMASS 859.2144273040001 | + | EXACTMASS 859.2144273040001 |
| − | AVERAGEMASS 859.71222 | + | AVERAGEMASS 859.71222 |
| − | SMILES O(c(c2)c(O)cc(c([o+1]6)c(O)cc(c65)c(O)cc(c5)OC(C(O)3)OC(C(C3OC(O4)C(C(C(O)C4CO)O)O)O)COC(CC(O)=O)=O)c2)C(C(O)1)OC(CO)C(C1O)O | + | SMILES O(c(c2)c(O)cc(c([o+1]6)c(O)cc(c65)c(O)cc(c5)OC(C(O)3)OC(C(C3OC(O4)C(C(C(O)C4CO)O)O)O)COC(CC(O)=O)=O)c2)C(C(O)1)OC(CO)C(C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
60 65 0 0 0 0 0 0 0 0999 V2000
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0.7954 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0810 0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -1.3701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 -0.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 -0.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 0.2799 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.0009 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4298 0.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4298 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7154 1.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0009 1.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0700 1.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8685 -1.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.6260 0.5925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGS0007
KNApSAcK_ID C00014775
NAME Cyanidin 7-(3-glucosyl-6-malonylglucoside)-4'-glucoside
CAS_RN 651768-28-4
FORMULA C36H43O24
EXACTMASS 859.2144273040001
AVERAGEMASS 859.71222
SMILES O(c(c2)c(O)cc(c([o+1]6)c(O)cc(c65)c(O)cc(c5)OC(C(O)3)OC(C(C3OC(O4)C(C(C(O)C4CO)O)O)O)COC(CC(O)=O)=O)c2)C(C(O)1)OC(CO)C(C1O)O
M END
