Mol:FL7AAAGL0063
From Metabolomics.JP
(Difference between revisions)
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| − | 78 85 0 0 0 0 0 0 0 0999 V2000 | + | 78 85 0 0 0 0 0 0 0 0999 V2000 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
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| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
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| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
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| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
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| − | 33 41 1 0 0 0 0 | + | 33 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 35 20 1 0 0 0 0 | + | 35 20 1 0 0 0 0 |
| − | 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 |
| − | 67 68 2 0 0 0 0 | + | 67 68 2 0 0 0 0 |
| − | 67 69 1 0 0 0 0 | + | 67 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 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 73 74 2 0 0 0 0 | + | 73 74 2 0 0 0 0 |
| − | 74 75 1 0 0 0 0 | + | 74 75 1 0 0 0 0 |
| − | 75 76 2 0 0 0 0 | + | 75 76 2 0 0 0 0 |
| − | 76 71 1 0 0 0 0 | + | 76 71 1 0 0 0 0 |
| − | 74 77 1 0 0 0 0 | + | 74 77 1 0 0 0 0 |
| − | 73 78 1 0 0 0 0 | + | 73 78 1 0 0 0 0 |
| − | 61 67 1 0 0 0 0 | + | 61 67 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAAGL0063 | + | ID FL7AAAGL0063 |
| − | KNApSAcK_ID C00014839 | + | KNApSAcK_ID C00014839 |
| − | NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside | + | NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside |
| − | CAS_RN 448963-07-3 | + | CAS_RN 448963-07-3 |
| − | FORMULA C52H55O26 | + | FORMULA C52H55O26 |
| − | EXACTMASS 1095.298156932 | + | EXACTMASS 1095.298156932 |
| − | AVERAGEMASS 1095.9775 | + | AVERAGEMASS 1095.9775 |
| − | SMILES C(=CC(=O)OCC(O2)C(C(O)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(c8)O)O)C(C7O)O)C2Oc(c5c(c6)ccc(c6)O)cc(c3[o+1]5)c(OC(C4O)OC(C(C(O)4)O)CO)cc(c3)O)O)c(c1)ccc(O)c(OC)1 | + | SMILES C(=CC(=O)OCC(O2)C(C(O)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(c8)O)O)C(C7O)O)C2Oc(c5c(c6)ccc(c6)O)cc(c3[o+1]5)c(OC(C4O)OC(C(C(O)4)O)CO)cc(c3)O)O)c(c1)ccc(O)c(OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
78 85 0 0 0 0 0 0 0 0999 V2000
-1.2201 3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2201 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5056 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2089 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2089 3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5056 3.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9233 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 2.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6378 3.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9233 3.5146 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.4143 3.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1288 3.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8433 3.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8433 4.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1288 4.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4143 4.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4835 4.7450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAAGL0063
KNApSAcK_ID C00014839
NAME Pelargonidin 3-O-[2-O-(6-(E)-caffeoyl-beta-D-glucopyranosyl)-6-O-(E)-feruloyl-beta-D-glucopyranoside]-5-O-(beta-D-glucopyranoside);Pelargonidin 3-(2-(6-caffeylglucosyl)-6-ferulylglucoside)-5-glucoside
CAS_RN 448963-07-3
FORMULA C52H55O26
EXACTMASS 1095.298156932
AVERAGEMASS 1095.9775
SMILES C(=CC(=O)OCC(O2)C(C(O)C(OC(C7O)OC(COC(=O)C=Cc(c8)cc(c(c8)O)O)C(C7O)O)C2Oc(c5c(c6)ccc(c6)O)cc(c3[o+1]5)c(OC(C4O)OC(C(C(O)4)O)CO)cc(c3)O)O)c(c1)ccc(O)c(OC)1
M END
