Mol:FL7AAIGL0035
From Metabolomics.JP
(Difference between revisions)
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| − | 51 27 1 0 0 0 0 | + | 51 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAIGL0035 | + | ID FL7AAIGL0035 |
| − | KNApSAcK_ID C00014825 | + | KNApSAcK_ID C00014825 |
| − | NAME Malvidin 3,7-di-(6-malonylglucoside) | + | NAME Malvidin 3,7-di-(6-malonylglucoside) |
| − | CAS_RN 783287-55-8 | + | CAS_RN 783287-55-8 |
| − | FORMULA C35H39O23 | + | FORMULA C35H39O23 |
| − | EXACTMASS 827.1882125540001 | + | EXACTMASS 827.1882125540001 |
| − | AVERAGEMASS 827.6703600000001 | + | AVERAGEMASS 827.6703600000001 |
| − | SMILES OC(C(O)1)C(O)C(COC(CC(O)=O)=O)OC1Oc(c(c(c5)cc(c(O)c(OC)5)OC)4)cc(c3[o+1]4)c(cc(c3)OC(O2)C(C(C(C2COC(=O)CC(O)=O)O)O)O)O | + | SMILES OC(C(O)1)C(O)C(COC(CC(O)=O)=O)OC1Oc(c(c(c5)cc(c(O)c(OC)5)OC)4)cc(c3[o+1]4)c(cc(c3)OC(O2)C(C(C(C2COC(=O)CC(O)=O)O)O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 62 0 0 0 0 0 0 0 0999 V2000
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1.2251 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5106 1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9396 -0.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 0.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAIGL0035
KNApSAcK_ID C00014825
NAME Malvidin 3,7-di-(6-malonylglucoside)
CAS_RN 783287-55-8
FORMULA C35H39O23
EXACTMASS 827.1882125540001
AVERAGEMASS 827.6703600000001
SMILES OC(C(O)1)C(O)C(COC(CC(O)=O)=O)OC1Oc(c(c(c5)cc(c(O)c(OC)5)OC)4)cc(c3[o+1]4)c(cc(c3)OC(O2)C(C(C(C2COC(=O)CC(O)=O)O)O)O)O
M END
