Mol:FL7AACGL0118
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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| − | 61 63 1 0 0 0 0 | + | 61 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 2 0 0 0 0 | + | 65 66 2 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 69 70 2 0 0 0 0 | + | 69 70 2 0 0 0 0 |
| − | 70 65 1 0 0 0 0 | + | 70 65 1 0 0 0 0 |
| − | 68 71 1 0 0 0 0 | + | 68 71 1 0 0 0 0 |
| − | 67 72 1 0 0 0 0 | + | 67 72 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 42 61 1 0 0 0 0 | + | 42 61 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0118 | + | ID FL7AACGL0118 |
| − | KNApSAcK_ID C00014779 | + | KNApSAcK_ID C00014779 |
| − | NAME Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside | + | NAME Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside |
| − | CAS_RN 215176-98-0 | + | CAS_RN 215176-98-0 |
| − | FORMULA C46H51O27 | + | FORMULA C46H51O27 |
| − | EXACTMASS 1035.261771426 | + | EXACTMASS 1035.261771426 |
| − | AVERAGEMASS 1035.88094 | + | AVERAGEMASS 1035.88094 |
| − | SMILES O(C(C=Cc(c7)ccc(c(OC)7)O)=O)CC(O1)C(O)C(O)C(O)C(Oc(c6)cc([o+1]3)c(c(O)6)cc(c(c(c5)cc(c(c5)O)OC(C4O)OC(C(C4O)O)CO)3)OC(O2)C(O)C(O)C(C2COC(CC(O)=O)=O)O)1 | + | SMILES O(C(C=Cc(c7)ccc(c(OC)7)O)=O)CC(O1)C(O)C(O)C(O)C(Oc(c6)cc([o+1]3)c(c(O)6)cc(c(c(c5)cc(c(c5)O)OC(C4O)OC(C(C4O)O)CO)3)OC(O2)C(O)C(O)C(C2COC(CC(O)=O)=O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
73 79 0 0 0 0 0 0 0 0999 V2000
0.6132 1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6132 0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0421 1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3276 1.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 0.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7566 1.9324 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
4.2476 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9621 1.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6765 1.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6765 2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9621 3.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2476 2.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3167 3.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3295 0.1993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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5.0221 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGL0118
KNApSAcK_ID C00014779
NAME Cyanidin 3-(6-malonylglucoside)-7-(6-feruloylglucoside)-3'-glucoside
CAS_RN 215176-98-0
FORMULA C46H51O27
EXACTMASS 1035.261771426
AVERAGEMASS 1035.88094
SMILES O(C(C=Cc(c7)ccc(c(OC)7)O)=O)CC(O1)C(O)C(O)C(O)C(Oc(c6)cc([o+1]3)c(c(O)6)cc(c(c(c5)cc(c(c5)O)OC(C4O)OC(C(C4O)O)CO)3)OC(O2)C(O)C(O)C(C2COC(CC(O)=O)=O)O)1
M END
