Mol:FL7AAGGL0071
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 85 92 0 0 0 0 0 0 0 0999 V2000 | + | 85 92 0 0 0 0 0 0 0 0999 V2000 |
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| − | 2.2966 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2966 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 54 50 1 0 0 0 0 | + | 54 50 1 0 0 0 0 |
| − | 47 22 1 0 0 0 0 | + | 47 22 1 0 0 0 0 |
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| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
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| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
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| − | 64 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
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| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
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| − | 61 68 1 0 0 0 0 | + | 61 68 1 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 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 |
| − | 71 73 1 0 0 0 0 | + | 71 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 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | 79 80 2 0 0 0 0 | + | 79 80 2 0 0 0 0 |
| − | 80 75 1 0 0 0 0 | + | 80 75 1 0 0 0 0 |
| − | 78 81 1 0 0 0 0 | + | 78 81 1 0 0 0 0 |
| − | 79 82 1 0 0 0 0 | + | 79 82 1 0 0 0 0 |
| − | 82 83 1 0 0 0 0 | + | 82 83 1 0 0 0 0 |
| − | 77 84 1 0 0 0 0 | + | 77 84 1 0 0 0 0 |
| − | 84 85 1 0 0 0 0 | + | 84 85 1 0 0 0 0 |
| − | 70 40 1 0 0 0 0 | + | 70 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0071 | + | ID FL7AAGGL0071 |
| − | KNApSAcK_ID C00014822 | + | KNApSAcK_ID C00014822 |
| − | NAME Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside) | + | NAME Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside) |
| − | CAS_RN 799854-14-1 | + | CAS_RN 799854-14-1 |
| − | FORMULA C55H61O30 | + | FORMULA C55H61O30 |
| − | EXACTMASS 1201.324765612 | + | EXACTMASS 1201.324765612 |
| − | AVERAGEMASS 1202.0548399999998 | + | AVERAGEMASS 1202.0548399999998 |
| − | SMILES O(c(c1)c(O)c(OC)cc(C=CC(OCC(O2)C(C(O)C(O)C(Oc(c8)cc(c4c(O)8)[o+1]c(c(c7)cc(c(c7O)O)OC(O5)C(O)C(C(O)C(COC(C=Cc(c6)cc(c(c6OC)O)OC)=O)5)O)c(c4)OC(C3O)OC(CO)C(C3O)O)2)O)=O)1)C | + | SMILES O(c(c1)c(O)c(OC)cc(C=CC(OCC(O2)C(C(O)C(O)C(Oc(c8)cc(c4c(O)8)[o+1]c(c(c7)cc(c(c7O)O)OC(O5)C(O)C(C(O)C(COC(C=Cc(c6)cc(c(c6OC)O)OC)=O)5)O)c(c4)OC(C3O)OC(CO)C(C3O)O)2)O)=O)1)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
85 92 0 0 0 0 0 0 0 0999 V2000
0.8676 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8676 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5821 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2966 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2966 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5821 1.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0111 -0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 0.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7255 1.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0111 1.5589 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0071
KNApSAcK_ID C00014822
NAME Delphinidin 3-glucoside-7,3'-di-(6-(E)-sinapoylglucoside)
CAS_RN 799854-14-1
FORMULA C55H61O30
EXACTMASS 1201.324765612
AVERAGEMASS 1202.0548399999998
SMILES O(c(c1)c(O)c(OC)cc(C=CC(OCC(O2)C(C(O)C(O)C(Oc(c8)cc(c4c(O)8)[o+1]c(c(c7)cc(c(c7O)O)OC(O5)C(O)C(C(O)C(COC(C=Cc(c6)cc(c(c6OC)O)OC)=O)5)O)c(c4)OC(C3O)OC(CO)C(C3O)O)2)O)=O)1)C
M END
