Mol:FL7AACGL0111
From Metabolomics.JP
(Difference between revisions)
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| − | 67 69 1 0 0 0 0 | + | 67 69 1 0 0 0 0 |
| − | 69 70 2 0 0 0 0 | + | 69 70 2 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 72 2 0 0 0 0 | + | 71 72 2 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | 75 76 2 0 0 0 0 | + | 75 76 2 0 0 0 0 |
| − | 76 71 1 0 0 0 0 | + | 76 71 1 0 0 0 0 |
| − | 74 77 1 0 0 0 0 | + | 74 77 1 0 0 0 0 |
| − | 63 67 1 0 0 0 0 | + | 63 67 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0111 | + | ID FL7AACGL0111 |
| − | KNApSAcK_ID C00014771 | + | KNApSAcK_ID C00014771 |
| − | NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside | + | NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside |
| − | CAS_RN 611232-15-6 | + | CAS_RN 611232-15-6 |
| − | FORMULA C51H53O26 | + | FORMULA C51H53O26 |
| − | EXACTMASS 1081.282506868 | + | EXACTMASS 1081.282506868 |
| − | AVERAGEMASS 1081.95092 | + | AVERAGEMASS 1081.95092 |
| − | SMILES O(C(O8)C(C(O)C(C8CO)O)O)c(c71)cc(O)cc([o+1]c(c(c7)OC(O3)C(OC(O5)C(O)C(O)C(O)C5COC(=O)C=Cc(c6)ccc(c6)O)C(C(O)C3COC(=O)C=Cc(c4)cc(O)c(c4)O)O)c(c2)ccc(O)c2O)1 | + | SMILES O(C(O8)C(C(O)C(C8CO)O)O)c(c71)cc(O)cc([o+1]c(c(c7)OC(O3)C(OC(O5)C(O)C(O)C(O)C5COC(=O)C=Cc(c6)ccc(c6)O)C(C(O)C3COC(=O)C=Cc(c4)cc(O)c(c4)O)O)c(c2)ccc(O)c2O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
77 84 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AACGL0111
KNApSAcK_ID C00014771
NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-caffeoylglucoside]-5-glucoside
CAS_RN 611232-15-6
FORMULA C51H53O26
EXACTMASS 1081.282506868
AVERAGEMASS 1081.95092
SMILES O(C(O8)C(C(O)C(C8CO)O)O)c(c71)cc(O)cc([o+1]c(c(c7)OC(O3)C(OC(O5)C(O)C(O)C(O)C5COC(=O)C=Cc(c6)ccc(c6)O)C(C(O)C3COC(=O)C=Cc(c4)cc(O)c(c4)O)O)c(c2)ccc(O)c2O)1
M END
