Mol:FL7AAGGA0014
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
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| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
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| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
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| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
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| − | 33 46 1 0 0 0 0 | + | 33 46 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGA0014 | + | ID FL7AAGGA0014 |
| − | KNApSAcK_ID C00014788 | + | KNApSAcK_ID C00014788 |
| − | NAME Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside) | + | NAME Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside) |
| − | CAS_RN 197250-30-9 | + | CAS_RN 197250-30-9 |
| − | FORMULA C30H27O17 | + | FORMULA C30H27O17 |
| − | EXACTMASS 659.124824438 | + | EXACTMASS 659.124824438 |
| − | AVERAGEMASS 659.5251800000001 | + | AVERAGEMASS 659.5251800000001 |
| − | SMILES c(c5O)c(cc(c5O)O)c(c2OC(C3OC(=O)c(c4)cc(c(c4O)O)O)OC(COC(C)=O)C(C3O)O)[o+1]c(c1)c(c2)c(O)cc1O | + | SMILES c(c5O)c(cc(c5O)O)c(c2OC(C3OC(=O)c(c4)cc(c(c4O)O)O)OC(COC(C)=O)C(C3O)O)[o+1]c(c1)c(c2)c(O)cc1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-3.6061 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.8916 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1771 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8916 1.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 -0.3191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 0.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7482 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4627 1.3309 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.0283 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.4573 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGA0014
KNApSAcK_ID C00014788
NAME Delphinidin 3-O-(2''-O-galloyl-6''-O-acetyl-beta-galactopyranoside)
CAS_RN 197250-30-9
FORMULA C30H27O17
EXACTMASS 659.124824438
AVERAGEMASS 659.5251800000001
SMILES c(c5O)c(cc(c5O)O)c(c2OC(C3OC(=O)c(c4)cc(c(c4O)O)O)OC(COC(C)=O)C(C3O)O)[o+1]c(c1)c(c2)c(O)cc1O
M END
