Mol:FL7AACGL0114
From Metabolomics.JP
(Difference between revisions)
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| − | 86 93 0 0 0 0 0 0 0 0999 V2000 | + | 86 93 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1.7112 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7112 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 64 71 1 0 0 0 0 | + | 64 71 1 0 0 0 0 |
| − | 65 72 1 0 0 0 0 | + | 65 72 1 0 0 0 0 |
| − | 73 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 74 75 2 0 0 0 0 | + | 74 75 2 0 0 0 0 |
| − | 74 76 1 0 0 0 0 | + | 74 76 1 0 0 0 0 |
| − | 76 77 2 0 0 0 0 | + | 76 77 2 0 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | 78 79 2 0 0 0 0 | + | 78 79 2 0 0 0 0 |
| − | 79 80 1 0 0 0 0 | + | 79 80 1 0 0 0 0 |
| − | 80 81 2 0 0 0 0 | + | 80 81 2 0 0 0 0 |
| − | 81 82 1 0 0 0 0 | + | 81 82 1 0 0 0 0 |
| − | 82 83 2 0 0 0 0 | + | 82 83 2 0 0 0 0 |
| − | 83 78 1 0 0 0 0 | + | 83 78 1 0 0 0 0 |
| − | 81 84 1 0 0 0 0 | + | 81 84 1 0 0 0 0 |
| − | 80 85 1 0 0 0 0 | + | 80 85 1 0 0 0 0 |
| − | 85 86 1 0 0 0 0 | + | 85 86 1 0 0 0 0 |
| − | 73 69 1 0 0 0 0 | + | 73 69 1 0 0 0 0 |
| − | 19 66 1 0 0 0 0 | + | 19 66 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 35 18 1 0 0 0 0 | + | 35 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0114 | + | ID FL7AACGL0114 |
| − | KNApSAcK_ID C00014774 | + | KNApSAcK_ID C00014774 |
| − | NAME Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside) | + | NAME Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside) |
| − | CAS_RN 799854-19-6 | + | CAS_RN 799854-19-6 |
| − | FORMULA C56H59O30 | + | FORMULA C56H59O30 |
| − | EXACTMASS 1211.3091155480001 | + | EXACTMASS 1211.3091155480001 |
| − | AVERAGEMASS 1212.0496600000001 | + | AVERAGEMASS 1212.0496600000001 |
| − | SMILES c(c1)(C=CC(=O)OCC(C(O)8)OC(C(O)C8O)Oc(c2)c(O)ccc2c(c6OC(C7O)OC(C(C(O)7)O)COC(=O)CC(O)=O)[o+1]c(c3)c(c6)c(O)cc3OC(C(O)5)OC(C(C5O)O)COC(=O)C=Cc(c4)cc(OC)c(O)c4)ccc(O)c(OC)1 | + | SMILES c(c1)(C=CC(=O)OCC(C(O)8)OC(C(O)C8O)Oc(c2)c(O)ccc2c(c6OC(C7O)OC(C(C(O)7)O)COC(=O)CC(O)=O)[o+1]c(c3)c(c6)c(O)cc3OC(C(O)5)OC(C(C5O)O)COC(=O)C=Cc(c4)cc(OC)c(O)c4)ccc(O)c(OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
86 93 0 0 0 0 0 0 0 0999 V2000
0.2822 2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2822 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9967 1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7112 2.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9967 2.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4257 1.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1401 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AACGL0114
KNApSAcK_ID C00014774
NAME Cyanidin 3-(6-malonylglucoside)-7,3'-di-(6-feruloylglucoside)
CAS_RN 799854-19-6
FORMULA C56H59O30
EXACTMASS 1211.3091155480001
AVERAGEMASS 1212.0496600000001
SMILES c(c1)(C=CC(=O)OCC(C(O)8)OC(C(O)C8O)Oc(c2)c(O)ccc2c(c6OC(C7O)OC(C(C(O)7)O)COC(=O)CC(O)=O)[o+1]c(c3)c(c6)c(O)cc3OC(C(O)5)OC(C(C5O)O)COC(=O)C=Cc(c4)cc(OC)c(O)c4)ccc(O)c(OC)1
M END
