Mol:FL7AAAGL0055
From Metabolomics.JP
(Difference between revisions)
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| − | 79 86 0 0 0 0 0 0 0 0999 V2000 | + | 79 86 0 0 0 0 0 0 0 0999 V2000 |
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| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
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| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
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| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
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| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 41 50 1 0 0 0 0 | + | 41 50 1 0 0 0 0 |
| − | 42 51 1 0 0 0 0 | + | 42 51 1 0 0 0 0 |
| − | 47 52 1 0 0 0 0 | + | 47 52 1 0 0 0 0 |
| − | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 53 55 2 0 0 0 0 | + | 53 55 2 0 0 0 0 |
| − | 54 56 2 0 0 0 0 | + | 54 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 58 60 1 0 0 0 0 | + | 58 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 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 67 62 1 0 0 0 0 | + | 67 62 1 0 0 0 0 |
| − | 57 68 2 0 0 0 0 | + | 57 68 2 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 |
| − | 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 |
| − | 72 57 1 0 0 0 0 | + | 72 57 1 0 0 0 0 |
| − | 70 73 1 0 0 0 0 | + | 70 73 1 0 0 0 0 |
| − | 71 74 1 0 0 0 0 | + | 71 74 1 0 0 0 0 |
| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | 65 76 1 0 0 0 0 | + | 65 76 1 0 0 0 0 |
| − | 66 77 1 0 0 0 0 | + | 66 77 1 0 0 0 0 |
| − | 77 78 1 0 0 0 0 | + | 77 78 1 0 0 0 0 |
| − | 58 79 1 0 0 0 0 | + | 58 79 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0055 | + | ID FL7AAAGL0055 |
| − | KNApSAcK_ID C00014025 | + | KNApSAcK_ID C00014025 |
| − | NAME Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside | + | NAME Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside |
| − | CAS_RN 185027-89-8 | + | CAS_RN 185027-89-8 |
| − | FORMULA C53H57O26 | + | FORMULA C53H57O26 |
| − | EXACTMASS 1109.313806996 | + | EXACTMASS 1109.313806996 |
| − | AVERAGEMASS 1110.00408 | + | AVERAGEMASS 1110.00408 |
| − | SMILES c(c1)(ccc(c([o+1]4)c(OC(O5)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(O)c8)OC)C(O)C7O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c(OC)6)5)O)O)cc(c24)c(OC(C3O)OC(C(C(O)3)O)CO)cc(c2)O)c1)O | + | SMILES c(c1)(ccc(c([o+1]4)c(OC(O5)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(O)c8)OC)C(O)C7O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c(OC)6)5)O)O)cc(c24)c(OC(C3O)OC(C(C(O)3)O)CO)cc(c2)O)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
79 86 0 0 0 0 0 0 0 0999 V2000
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0.3144 3.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3144 4.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0289 4.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8290 2.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 4.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4578 4.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4578 5.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7433 5.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0289 5.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1723 5.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4.4153 0.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0055
KNApSAcK_ID C00014025
NAME Pelargonidin 3-O-[2-O-(6-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 185027-89-8
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES c(c1)(ccc(c([o+1]4)c(OC(O5)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(O)c8)OC)C(O)C7O)C(C(C(COC(=O)C=Cc(c6)ccc(O)c(OC)6)5)O)O)cc(c24)c(OC(C3O)OC(C(C(O)3)O)CO)cc(c2)O)c1)O
M END
