Mol:FL7AAGGL0042
From Metabolomics.JP
(Difference between revisions)
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| − | 87 94 0 0 0 0 0 0 0 0999 V2000 | + | 87 94 0 0 0 0 0 0 0 0999 V2000 |
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| − | 63 71 1 0 0 0 0 | + | 63 71 1 0 0 0 0 |
| − | 64 72 1 0 0 0 0 | + | 64 72 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 73 75 1 0 0 0 0 | + | 73 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 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
| − | 81 82 2 0 0 0 0 | + | 81 82 2 0 0 0 0 |
| − | 82 77 1 0 0 0 0 | + | 82 77 1 0 0 0 0 |
| − | 80 83 1 0 0 0 0 | + | 80 83 1 0 0 0 0 |
| − | 69 73 1 0 0 0 0 | + | 69 73 1 0 0 0 0 |
| − | 62 67 1 0 0 0 0 | + | 62 67 1 0 0 0 0 |
| − | 65 50 1 0 0 0 0 | + | 65 50 1 0 0 0 0 |
| − | 81 84 1 0 0 0 0 | + | 81 84 1 0 0 0 0 |
| − | 84 85 1 0 0 0 0 | + | 84 85 1 0 0 0 0 |
| − | 59 86 1 0 0 0 0 | + | 59 86 1 0 0 0 0 |
| − | 86 87 1 0 0 0 0 | + | 86 87 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0042 | + | ID FL7AAGGL0042 |
| − | KNApSAcK_ID C00014787 | + | KNApSAcK_ID C00014787 |
| − | NAME Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside) | + | NAME Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside) |
| − | CAS_RN 379232-04-9 | + | CAS_RN 379232-04-9 |
| − | FORMULA C56H59O31 | + | FORMULA C56H59O31 |
| − | EXACTMASS 1227.30403017 | + | EXACTMASS 1227.30403017 |
| − | AVERAGEMASS 1228.04906 | + | AVERAGEMASS 1228.04906 |
| − | SMILES C(C8O)(OC(C(C8O)OC(O6)C(O)C(O)C(O)C(COC(=O)C=Cc(c7)cc(OC)c(c7)O)6)Oc(c4)c(c(c5)cc(O)c(O)c(O)5)[o+1]c(c42)cc(cc2OC(O3)C(O)C(C(C(COC(=O)CC(O)=O)3)O)O)O)COC(C=Cc(c1)cc(c(O)c1)OC)=O | + | SMILES C(C8O)(OC(C(C8O)OC(O6)C(O)C(O)C(O)C(COC(=O)C=Cc(c7)cc(OC)c(c7)O)6)Oc(c4)c(c(c5)cc(O)c(O)c(O)5)[o+1]c(c42)cc(cc2OC(O3)C(O)C(C(C(COC(=O)CC(O)=O)3)O)O)O)COC(C=Cc(c1)cc(c(O)c1)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
87 94 0 0 0 0 0 0 0 0999 V2000
-0.5200 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5200 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1944 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0042
KNApSAcK_ID C00014787
NAME Delphinidin 3-[2-(6-(feruloylglucoside)-6-feruloylglucoside]-5-(6-malonylglucoside)
CAS_RN 379232-04-9
FORMULA C56H59O31
EXACTMASS 1227.30403017
AVERAGEMASS 1228.04906
SMILES C(C8O)(OC(C(C8O)OC(O6)C(O)C(O)C(O)C(COC(=O)C=Cc(c7)cc(OC)c(c7)O)6)Oc(c4)c(c(c5)cc(O)c(O)c(O)5)[o+1]c(c42)cc(cc2OC(O3)C(O)C(C(C(COC(=O)CC(O)=O)3)O)O)O)COC(C=Cc(c1)cc(c(O)c1)OC)=O
M END
