Mol:FL7AAGGL0041
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 85 92 0 0 0 0 0 0 0 0999 V2000 | + | 85 92 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 2.9605 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 | + | -0.5200 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 | + | 0.1944 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9089 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9089 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9089 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9089 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.1061 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1061 -5.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
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| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
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| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 39 29 1 0 0 0 0 | + | 39 29 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 41 42 1 1 0 0 0 | + | 41 42 1 1 0 0 0 |
| − | 43 42 1 1 0 0 0 | + | 43 42 1 1 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
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| − | 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 |
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| − | 41 49 1 0 0 0 0 | + | 41 49 1 0 0 0 0 |
| − | 42 50 1 0 0 0 0 | + | 42 50 1 0 0 0 0 |
| − | 43 18 1 0 0 0 0 | + | 43 18 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 51 53 1 0 0 0 0 | + | 51 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 47 51 1 0 0 0 0 | + | 47 51 1 0 0 0 0 |
| − | 62 63 1 1 0 0 0 | + | 62 63 1 1 0 0 0 |
| − | 63 64 1 1 0 0 0 | + | 63 64 1 1 0 0 0 |
| − | 65 64 1 1 0 0 0 | + | 65 64 1 1 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 68 1 0 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 62 70 1 0 0 0 0 | + | 62 70 1 0 0 0 0 |
| − | 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0041 | + | ID FL7AAGGL0041 |
| − | KNApSAcK_ID C00014786 | + | KNApSAcK_ID C00014786 |
| − | NAME Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside) | + | NAME Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside) |
| − | CAS_RN 379232-02-7 | + | CAS_RN 379232-02-7 |
| − | FORMULA C55H57O30 | + | FORMULA C55H57O30 |
| − | EXACTMASS 1197.293465484 | + | EXACTMASS 1197.293465484 |
| − | AVERAGEMASS 1198.02308 | + | AVERAGEMASS 1198.02308 |
| − | SMILES O(C5COC(C=Cc(c8)ccc(O)c8)=O)C(C(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c(OC)7)=O)C(O)C6O)C(C5O)O)Oc(c3)c(c(c4)cc(O)c(O)c4O)[o+1]c(c13)cc(O)cc1OC(C(O)2)OC(C(C(O)2)O)COC(CC(O)=O)=O | + | SMILES O(C5COC(C=Cc(c8)ccc(O)c8)=O)C(C(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c(OC)7)=O)C(O)C6O)C(C5O)O)Oc(c3)c(c(c4)cc(O)c(O)c4O)[o+1]c(c13)cc(O)cc1OC(C(O)2)OC(C(C(O)2)O)COC(CC(O)=O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
85 92 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
0.9089 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9089 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1944 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6234 1.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 2.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3379 2.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6234 3.3730 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0041
KNApSAcK_ID C00014786
NAME Delphinidin 3-[2-(6-feruloylglucoside)-6-p-coumaroylglucoside]-5-(6-malonylglucoside)
CAS_RN 379232-02-7
FORMULA C55H57O30
EXACTMASS 1197.293465484
AVERAGEMASS 1198.02308
SMILES O(C5COC(C=Cc(c8)ccc(O)c8)=O)C(C(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c(OC)7)=O)C(O)C6O)C(C5O)O)Oc(c3)c(c(c4)cc(O)c(O)c4O)[o+1]c(c13)cc(O)cc1OC(C(O)2)OC(C(C(O)2)O)COC(CC(O)=O)=O
M END
