Mol:FL7AAAGL0062
From Metabolomics.JP
(Difference between revisions)
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| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
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| − | 43 44 2 0 0 0 0 | + | 43 44 2 0 0 0 0 |
| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 52 47 1 0 0 0 0 | + | 52 47 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 54 55 1 1 0 0 0 | + | 54 55 1 1 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 57 56 1 1 0 0 0 | + | 57 56 1 1 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 54 1 0 0 0 0 | + | 59 54 1 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 54 62 1 0 0 0 0 | + | 54 62 1 0 0 0 0 |
| − | 55 63 1 0 0 0 0 | + | 55 63 1 0 0 0 0 |
| − | 56 64 1 0 0 0 0 | + | 56 64 1 0 0 0 0 |
| − | 57 42 1 0 0 0 0 | + | 57 42 1 0 0 0 0 |
| − | 43 39 1 0 0 0 0 | + | 43 39 1 0 0 0 0 |
| − | 51 65 1 0 0 0 0 | + | 51 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0062 | + | ID FL7AAAGL0062 |
| − | KNApSAcK_ID C00014838 | + | KNApSAcK_ID C00014838 |
| − | NAME Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside | + | NAME Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside |
| − | CAS_RN 185027-87-6 | + | CAS_RN 185027-87-6 |
| − | FORMULA C43H49O23 | + | FORMULA C43H49O23 |
| − | EXACTMASS 933.266462874 | + | EXACTMASS 933.266462874 |
| − | AVERAGEMASS 933.83536 | + | AVERAGEMASS 933.83536 |
| − | SMILES c(O)(c2)cc(c(c4)c([o+1]c(c4OC(C5OC(C(O)7)OC(C(O)C7O)CO)OC(COC(=O)C=Cc(c6)cc(OC)c(c6)O)C(C(O)5)O)c(c3)ccc(O)c3)2)OC(C1O)OC(CO)C(C1O)O | + | SMILES c(O)(c2)cc(c(c4)c([o+1]c(c4OC(C5OC(C(O)7)OC(C(O)C7O)CO)OC(COC(=O)C=Cc(c6)cc(OC)c(c6)O)C(C(O)5)O)c(c3)ccc(O)c3)2)OC(C1O)OC(CO)C(C1O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
66 72 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAAGL0062
KNApSAcK_ID C00014838
NAME Pelargonidin 3-O-[6-O-(E)-feruloyl-2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(6-ferulyl-2-glucosylglucoside)-5-glucoside
CAS_RN 185027-87-6
FORMULA C43H49O23
EXACTMASS 933.266462874
AVERAGEMASS 933.83536
SMILES c(O)(c2)cc(c(c4)c([o+1]c(c4OC(C5OC(C(O)7)OC(C(O)C7O)CO)OC(COC(=O)C=Cc(c6)cc(OC)c(c6)O)C(C(O)5)O)c(c3)ccc(O)c3)2)OC(C1O)OC(CO)C(C1O)O
M END
