Mol:FL7AACGL0109
From Metabolomics.JP
(Difference between revisions)
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| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 54 49 1 0 0 0 0 | + | 54 49 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 66 68 1 0 0 0 0 | + | 66 68 1 0 0 0 0 |
| − | 68 69 2 0 0 0 0 | + | 68 69 2 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 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 72 73 2 0 0 0 0 | + | 72 73 2 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 |
| − | 75 70 1 0 0 0 0 | + | 75 70 1 0 0 0 0 |
| − | 73 76 1 0 0 0 0 | + | 73 76 1 0 0 0 0 |
| − | 53 66 1 0 0 0 0 | + | 53 66 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AACGL0109 | + | ID FL7AACGL0109 |
| − | KNApSAcK_ID C00014766 | + | KNApSAcK_ID C00014766 |
| − | NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside | + | NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside |
| − | CAS_RN 203396-74-1 | + | CAS_RN 203396-74-1 |
| − | FORMULA C51H53O25 | + | FORMULA C51H53O25 |
| − | EXACTMASS 1065.287592246 | + | EXACTMASS 1065.287592246 |
| − | AVERAGEMASS 1065.95152 | + | AVERAGEMASS 1065.95152 |
| − | SMILES c(c([o+1]8)c(cc(c78)c(cc(O)c7)OC(C6O)OC(C(C6O)O)CO)OC(C(OC(C(O)4)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(C4O)O)3)OC(C(O)C3O)COC(C=Cc(c2)ccc(c2)O)=O)(c1)cc(c(O)c1)O | + | SMILES c(c([o+1]8)c(cc(c78)c(cc(O)c7)OC(C6O)OC(C(C6O)O)CO)OC(C(OC(C(O)4)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(C4O)O)3)OC(C(O)C3O)COC(C=Cc(c2)ccc(c2)O)=O)(c1)cc(c(O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
76 83 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AACGL0109
KNApSAcK_ID C00014766
NAME Cyanidin 3-[2-(6-p-coumarylglucosyl)-6-p-coumarylglucoside)]-5-glucoside
CAS_RN 203396-74-1
FORMULA C51H53O25
EXACTMASS 1065.287592246
AVERAGEMASS 1065.95152
SMILES c(c([o+1]8)c(cc(c78)c(cc(O)c7)OC(C6O)OC(C(C6O)O)CO)OC(C(OC(C(O)4)OC(COC(=O)C=Cc(c5)ccc(c5)O)C(C4O)O)3)OC(C(O)C3O)COC(C=Cc(c2)ccc(c2)O)=O)(c1)cc(c(O)c1)O
M END
