Mol:FL7AAGGL0039
From Metabolomics.JP
(Difference between revisions)
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| − | 20 48 1 0 0 0 0 | + | 20 48 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 56 58 1 0 0 0 0 | + | 56 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 63 64 1 0 0 0 0 | + | 63 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 65 60 1 0 0 0 0 | + | 65 60 1 0 0 0 0 |
| − | 63 66 1 0 0 0 0 | + | 63 66 1 0 0 0 0 |
| − | 62 67 1 0 0 0 0 | + | 62 67 1 0 0 0 0 |
| − | 55 51 1 0 0 0 0 | + | 55 51 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0039 | + | ID FL7AAGGL0039 |
| − | KNApSAcK_ID C00014781 | + | KNApSAcK_ID C00014781 |
| − | NAME Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside) | + | NAME Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside) |
| − | CAS_RN 198645-07-7 | + | CAS_RN 198645-07-7 |
| − | FORMULA C42H47O25 | + | FORMULA C42H47O25 |
| − | EXACTMASS 951.2406420539999 | + | EXACTMASS 951.2406420539999 |
| − | AVERAGEMASS 951.80758 | + | AVERAGEMASS 951.80758 |
| − | SMILES c(c35)(cc(cc3[o+1]c(c(c6)cc(O)c(c6OC(C7O)OC(CO)C(C7O)O)O)c(c5)OC(C4O)OC(C(O)C4O)CO)O)OC(C(O)2)OC(C(C2O)O)COC(=O)C=Cc(c1)ccc(O)c1O | + | SMILES c(c35)(cc(cc3[o+1]c(c(c6)cc(O)c(c6OC(C7O)OC(CO)C(C7O)O)O)c(c5)OC(C4O)OC(C(O)C4O)CO)O)OC(C(O)2)OC(C(C2O)O)COC(=O)C=Cc(c1)ccc(O)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 73 0 0 0 0 0 0 0 0999 V2000
0.0573 0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4862 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4862 0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7717 1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2007 -0.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9151 0.8233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2007 1.2358 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
3.6917 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4061 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.4061 2.5091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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55 51 1 0 0 0 0
S SKP 8
ID FL7AAGGL0039
KNApSAcK_ID C00014781
NAME Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside)
CAS_RN 198645-07-7
FORMULA C42H47O25
EXACTMASS 951.2406420539999
AVERAGEMASS 951.80758
SMILES c(c35)(cc(cc3[o+1]c(c(c6)cc(O)c(c6OC(C7O)OC(CO)C(C7O)O)O)c(c5)OC(C4O)OC(C(O)C4O)CO)O)OC(C(O)2)OC(C(C2O)O)COC(=O)C=Cc(c1)ccc(O)c1O
M END
