Mol:FL7AACGL0115
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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| − | 58 65 1 0 0 0 0 | + | 58 65 1 0 0 0 0 |
| − | 59 18 1 0 0 0 0 | + | 59 18 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 67 69 1 0 0 0 0 | + | 67 69 1 0 0 0 0 |
| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 70 71 2 0 0 0 0 | + | 70 71 2 0 0 0 0 |
| − | 70 72 1 0 0 0 0 | + | 70 72 1 0 0 0 0 |
| − | 72 62 1 0 0 0 0 | + | 72 62 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0115 | + | ID FL7AACGL0115 |
| − | KNApSAcK_ID C00014776 | + | KNApSAcK_ID C00014776 |
| − | NAME Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside | + | NAME Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside |
| − | CAS_RN 215176-96-8 | + | CAS_RN 215176-96-8 |
| − | FORMULA C45H49O27 | + | FORMULA C45H49O27 |
| − | EXACTMASS 1021.2461213619999 | + | EXACTMASS 1021.2461213619999 |
| − | AVERAGEMASS 1021.8543599999999 | + | AVERAGEMASS 1021.8543599999999 |
| − | SMILES Oc(c1O)cc(C=CC(OCC(O2)C(O)C(O)C(O)C2Oc(c7)cc(O)c(c57)cc(OC(O6)C(O)C(C(C6COC(=O)CC(O)=O)O)O)c([o+1]5)c(c3)ccc(c3OC(C(O)4)OC(C(C4O)O)CO)O)=O)cc1 | + | SMILES Oc(c1O)cc(C=CC(OCC(O2)C(O)C(O)C(O)C2Oc(c7)cc(O)c(c57)cc(OC(O6)C(O)C(C(C6COC(=O)CC(O)=O)O)O)c([o+1]5)c(c3)ccc(c3OC(C(O)4)OC(C(C4O)O)CO)O)=O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
72 78 0 0 0 0 0 0 0 0999 V2000
0.7917 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.5062 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2207 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5062 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9351 0.3594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6496 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6496 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9351 2.0094 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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5.1406 1.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8551 2.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8551 2.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1406 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4261 2.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4953 3.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGL0115
KNApSAcK_ID C00014776
NAME Cyanidin 3-(6-malonylglucoside)-7-(6-caffeoylglucoside)-3'-glucoside
CAS_RN 215176-96-8
FORMULA C45H49O27
EXACTMASS 1021.2461213619999
AVERAGEMASS 1021.8543599999999
SMILES Oc(c1O)cc(C=CC(OCC(O2)C(O)C(O)C(O)C2Oc(c7)cc(O)c(c57)cc(OC(O6)C(O)C(C(C6COC(=O)CC(O)=O)O)O)c([o+1]5)c(c3)ccc(c3OC(C(O)4)OC(C(C4O)O)CO)O)=O)cc1
M END
