Mol:FL7AAGGL0066
From Metabolomics.JP
(Difference between revisions)
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| − | 81 88 0 0 0 0 0 0 0 0999 V2000 | + | 81 88 0 0 0 0 0 0 0 0999 V2000 |
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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 |
| − | 61 66 1 0 0 0 0 | + | 61 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 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 |
| − | 69 71 1 0 0 0 0 | + | 69 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 77 1 0 0 0 0 | + | 76 77 1 0 0 0 0 |
| − | 77 78 2 0 0 0 0 | + | 77 78 2 0 0 0 0 |
| − | 78 73 1 0 0 0 0 | + | 78 73 1 0 0 0 0 |
| − | 76 79 1 0 0 0 0 | + | 76 79 1 0 0 0 0 |
| − | 75 80 1 0 0 0 0 | + | 75 80 1 0 0 0 0 |
| − | 80 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
| − | 51 55 1 0 0 0 0 | + | 51 55 1 0 0 0 0 |
| − | 68 40 1 0 0 0 0 | + | 68 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0066 | + | ID FL7AAGGL0066 |
| − | KNApSAcK_ID C00014817 | + | KNApSAcK_ID C00014817 |
| − | NAME Delphinidin 3-(diferuloyl)sophoroside-5-glucoside | + | NAME Delphinidin 3-(diferuloyl)sophoroside-5-glucoside |
| − | CAS_RN 379232-06-1 | + | CAS_RN 379232-06-1 |
| − | FORMULA C53H57O28 | + | FORMULA C53H57O28 |
| − | EXACTMASS 1141.30363624 | + | EXACTMASS 1141.30363624 |
| − | AVERAGEMASS 1142.00288 | + | AVERAGEMASS 1142.00288 |
| − | SMILES Oc(c1)cc(OC(O8)C(C(O)C(O)C8CO)O)c(c3)c1[o+1]c(c3OC(O4)C(OC(O6)C(C(C(C6COC(=O)C=Cc(c7)cc(c(O)c7)OC)O)O)O)C(O)C(O)C4COC(=O)C=Cc(c5)ccc(O)c5OC)c(c2)cc(c(O)c2O)O | + | SMILES Oc(c1)cc(OC(O8)C(C(O)C(O)C8CO)O)c(c3)c1[o+1]c(c3OC(O4)C(OC(O6)C(C(C(C6COC(=O)C=Cc(c7)cc(c(O)c7)OC)O)O)O)C(O)C(O)C4COC(=O)C=Cc(c5)ccc(O)c5OC)c(c2)cc(c(O)c2O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
81 88 0 0 0 0 0 0 0 0999 V2000
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1.8023 2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.2934 2.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0078 2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0066
KNApSAcK_ID C00014817
NAME Delphinidin 3-(diferuloyl)sophoroside-5-glucoside
CAS_RN 379232-06-1
FORMULA C53H57O28
EXACTMASS 1141.30363624
AVERAGEMASS 1142.00288
SMILES Oc(c1)cc(OC(O8)C(C(O)C(O)C8CO)O)c(c3)c1[o+1]c(c3OC(O4)C(OC(O6)C(C(C(C6COC(=O)C=Cc(c7)cc(c(O)c7)OC)O)O)O)C(O)C(O)C4COC(=O)C=Cc(c5)ccc(O)c5OC)c(c2)cc(c(O)c2O)O
M END
