Mol:FL7AAAGL0065
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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| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
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| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
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| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 22 50 1 0 0 0 0 | + | 22 50 1 0 0 0 0 |
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| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
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| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
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| − | 31 40 1 0 0 0 0 | + | 31 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 45 49 1 0 0 0 0 | + | 45 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 42 51 1 0 0 0 0 | + | 42 51 1 0 0 0 0 |
| − | 43 52 1 0 0 0 0 | + | 43 52 1 0 0 0 0 |
| − | 48 53 1 0 0 0 0 | + | 48 53 1 0 0 0 0 |
| − | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 54 56 2 0 0 0 0 | + | 54 56 2 0 0 0 0 |
| − | 55 57 2 0 0 0 0 | + | 55 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 26 59 1 0 0 0 0 | + | 26 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 59 61 1 0 0 0 0 | + | 59 61 1 0 0 0 0 |
| − | 61 62 2 0 0 0 0 | + | 61 62 2 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 63 64 2 0 0 0 0 | + | 63 64 2 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 2 0 0 0 0 | + | 65 66 2 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 68 63 1 0 0 0 0 | + | 68 63 1 0 0 0 0 |
| − | 58 69 2 0 0 0 0 | + | 58 69 2 0 0 0 0 |
| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 70 71 2 0 0 0 0 | + | 70 71 2 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 72 73 2 0 0 0 0 | + | 72 73 2 0 0 0 0 |
| − | 73 58 1 0 0 0 0 | + | 73 58 1 0 0 0 0 |
| − | 71 74 1 0 0 0 0 | + | 71 74 1 0 0 0 0 |
| − | 72 75 1 0 0 0 0 | + | 72 75 1 0 0 0 0 |
| − | 75 76 1 0 0 0 0 | + | 75 76 1 0 0 0 0 |
| − | 66 77 1 0 0 0 0 | + | 66 77 1 0 0 0 0 |
| − | 67 78 1 0 0 0 0 | + | 67 78 1 0 0 0 0 |
| − | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0065 | + | ID FL7AAAGL0065 |
| − | KNApSAcK_ID C00014841 | + | KNApSAcK_ID C00014841 |
| − | NAME Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside | + | NAME Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside |
| − | CAS_RN 448963-09-5 | + | CAS_RN 448963-09-5 |
| − | FORMULA C53H57O26 | + | FORMULA C53H57O26 |
| − | EXACTMASS 1109.313806996 | + | EXACTMASS 1109.313806996 |
| − | AVERAGEMASS 1110.00408 | + | AVERAGEMASS 1110.00408 |
| − | SMILES c(c1OC(C(O)8)OC(CO)C(O)C8O)c(O)cc([o+1]2)c(cc(OC(C(OC(C6OC(=O)C=Cc(c7)cc(c(O)c7)OC)OC(C(O)C6O)CO)5)OC(C(C5O)O)COC(C=Cc(c4)cc(c(c4)O)OC)=O)c2c(c3)ccc(O)c3)1 | + | SMILES c(c1OC(C(O)8)OC(CO)C(O)C8O)c(O)cc([o+1]2)c(cc(OC(C(OC(C6OC(=O)C=Cc(c7)cc(c(O)c7)OC)OC(C(O)C6O)CO)5)OC(C(C5O)O)COC(C=Cc(c4)cc(c(c4)O)OC)=O)c2c(c3)ccc(O)c3)1 |
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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0.1719 3.2487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 3.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 4.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0065
KNApSAcK_ID C00014841
NAME Pelargonidin 3-O-[2-O-(2-(E)-feruloyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(2-ferulylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 448963-09-5
FORMULA C53H57O26
EXACTMASS 1109.313806996
AVERAGEMASS 1110.00408
SMILES c(c1OC(C(O)8)OC(CO)C(O)C8O)c(O)cc([o+1]2)c(cc(OC(C(OC(C6OC(=O)C=Cc(c7)cc(c(O)c7)OC)OC(C(O)C6O)CO)5)OC(C(C5O)O)COC(C=Cc(c4)cc(c(c4)O)OC)=O)c2c(c3)ccc(O)c3)1
M END
