Mol:FL7AAGGL0068
From Metabolomics.JP
(Difference between revisions)
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| − | 78 85 0 0 0 0 0 0 0 0999 V2000 | + | 78 85 0 0 0 0 0 0 0 0999 V2000 |
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| − | 51 56 1 0 0 0 0 | + | 51 56 1 0 0 0 0 |
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| − | 58 59 1 1 0 0 0 | + | 58 59 1 1 0 0 0 |
| − | 60 59 1 1 0 0 0 | + | 60 59 1 1 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 57 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 58 66 1 0 0 0 0 | + | 58 66 1 0 0 0 0 |
| − | 59 67 1 0 0 0 0 | + | 59 67 1 0 0 0 0 |
| − | 60 22 1 0 0 0 0 | + | 60 22 1 0 0 0 0 |
| − | 68 69 2 0 0 0 0 | + | 68 69 2 0 0 0 0 |
| − | 68 70 1 0 0 0 0 | + | 68 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 76 1 0 0 0 0 | + | 75 76 1 0 0 0 0 |
| − | 76 77 2 0 0 0 0 | + | 76 77 2 0 0 0 0 |
| − | 77 72 1 0 0 0 0 | + | 77 72 1 0 0 0 0 |
| − | 75 78 1 0 0 0 0 | + | 75 78 1 0 0 0 0 |
| − | 64 68 1 0 0 0 0 | + | 64 68 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0068 | + | ID FL7AAGGL0068 |
| − | KNApSAcK_ID C00014819 | + | KNApSAcK_ID C00014819 |
| − | NAME Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside) | + | NAME Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside) |
| − | CAS_RN 198645-14-6 | + | CAS_RN 198645-14-6 |
| − | FORMULA C51H53O27 | + | FORMULA C51H53O27 |
| − | EXACTMASS 1097.27742149 | + | EXACTMASS 1097.27742149 |
| − | AVERAGEMASS 1097.95032 | + | AVERAGEMASS 1097.95032 |
| − | SMILES C(C7O)(C(C(OC7COC(C=Cc(c8)ccc(O)c(O)8)=O)Oc(c21)cc(O)cc1[o+1]c(c(c4)cc(c(O)c(OC(C(O)5)OC(COC(=O)C=Cc(c6)ccc(c6)O)C(O)C5O)4)O)c(OC(C3O)OC(C(O)C3O)CO)c2)O)O | + | SMILES C(C7O)(C(C(OC7COC(C=Cc(c8)ccc(O)c(O)8)=O)Oc(c21)cc(O)cc1[o+1]c(c(c4)cc(c(O)c(OC(C(O)5)OC(COC(=O)C=Cc(c6)ccc(c6)O)C(O)C5O)4)O)c(OC(C3O)OC(C(O)C3O)CO)c2)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAGGL0068
KNApSAcK_ID C00014819
NAME Delphinidin 3-glucoside-5-(6-caffeoylglucoside)-3'-(6-(E)-p-coumaroylglucoside)
CAS_RN 198645-14-6
FORMULA C51H53O27
EXACTMASS 1097.27742149
AVERAGEMASS 1097.95032
SMILES C(C7O)(C(C(OC7COC(C=Cc(c8)ccc(O)c(O)8)=O)Oc(c21)cc(O)cc1[o+1]c(c(c4)cc(c(O)c(OC(C(O)5)OC(COC(=O)C=Cc(c6)ccc(c6)O)C(O)C5O)4)O)c(OC(C3O)OC(C(O)C3O)CO)c2)O)O
M END
