Mol:FL7AAGGL0063
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 87 95 0 0 0 0 0 0 0 0999 V2000 | + | 87 95 0 0 0 0 0 0 0 0999 V2000 |
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| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 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 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 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 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 33 29 1 0 0 0 0 | + | 33 29 1 0 0 0 0 |
| − | 34 35 1 1 0 0 0 | + | 34 35 1 1 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
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| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
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| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 34 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
| − | 35 42 1 0 0 0 0 | + | 35 42 1 0 0 0 0 |
| − | 36 43 1 0 0 0 0 | + | 36 43 1 0 0 0 0 |
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| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
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| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 47 50 1 0 0 0 0 | + | 47 50 1 0 0 0 0 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 45 52 1 0 0 0 0 | + | 45 52 1 0 0 0 0 |
| − | 44 53 1 0 0 0 0 | + | 44 53 1 0 0 0 0 |
| − | 48 33 1 0 0 0 0 | + | 48 33 1 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 |
| − | 55 57 1 0 0 0 0 | + | 55 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 61 1 0 0 0 0 | + | 60 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 59 1 0 0 0 0 | + | 64 59 1 0 0 0 0 |
| − | 62 65 1 0 0 0 0 | + | 62 65 1 0 0 0 0 |
| − | 54 40 1 0 0 0 0 | + | 54 40 1 0 0 0 0 |
| − | 19 37 1 0 0 0 0 | + | 19 37 1 0 0 0 0 |
| − | 66 67 1 1 0 0 0 | + | 66 67 1 1 0 0 0 |
| − | 67 68 1 1 0 0 0 | + | 67 68 1 1 0 0 0 |
| − | 69 68 1 1 0 0 0 | + | 69 68 1 1 0 0 0 |
| − | 69 70 1 0 0 0 0 | + | 69 70 1 0 0 0 0 |
| − | 70 71 1 0 0 0 0 | + | 70 71 1 0 0 0 0 |
| − | 71 66 1 0 0 0 0 | + | 71 66 1 0 0 0 0 |
| − | 71 72 1 0 0 0 0 | + | 71 72 1 0 0 0 0 |
| − | 66 73 1 0 0 0 0 | + | 66 73 1 0 0 0 0 |
| − | 67 74 1 0 0 0 0 | + | 67 74 1 0 0 0 0 |
| − | 68 75 1 0 0 0 0 | + | 68 75 1 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 |
| − | 77 79 1 0 0 0 0 | + | 77 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 83 1 0 0 0 0 | + | 82 83 1 0 0 0 0 |
| − | 83 84 2 0 0 0 0 | + | 83 84 2 0 0 0 0 |
| − | 84 85 1 0 0 0 0 | + | 84 85 1 0 0 0 0 |
| − | 85 86 2 0 0 0 0 | + | 85 86 2 0 0 0 0 |
| − | 86 81 1 0 0 0 0 | + | 86 81 1 0 0 0 0 |
| − | 84 87 1 0 0 0 0 | + | 84 87 1 0 0 0 0 |
| − | 76 72 1 0 0 0 0 | + | 76 72 1 0 0 0 0 |
| − | 69 22 1 0 0 0 0 | + | 69 22 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0063 | + | ID FL7AAGGL0063 |
| − | FORMULA C57H63O30 | + | FORMULA C57H63O30 |
| − | EXACTMASS 1227.3404156759998 | + | EXACTMASS 1227.3404156759998 |
| − | AVERAGEMASS 1228.09212 | + | AVERAGEMASS 1228.09212 |
| − | SMILES Oc(c9)ccc(c9)C=CC(OCC(O1)C(C(C(O)C1Oc(c8)cc(O)c(c82)cc(OC(O6)C(O)C(O)C(C6COC(O7)C(O)C(C(C(C)7)O)O)O)c(c(c3)cc(c(c3OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4)O)=O)O)O)[o+1]2)O)O)=O | + | SMILES Oc(c9)ccc(c9)C=CC(OCC(O1)C(C(C(O)C1Oc(c8)cc(O)c(c82)cc(OC(O6)C(O)C(O)C(C6COC(O7)C(O)C(C(C(C)7)O)O)O)c(c(c3)cc(c(c3OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4)O)=O)O)O)[o+1]2)O)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
87 95 0 0 0 0 0 0 0 0999 V2000
-1.6060 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6060 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1771 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1771 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8916 3.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5374 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2518 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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M CHG 1 10 1
S SKP 5
ID FL7AAGGL0063
FORMULA C57H63O30
EXACTMASS 1227.3404156759998
AVERAGEMASS 1228.09212
SMILES Oc(c9)ccc(c9)C=CC(OCC(O1)C(C(C(O)C1Oc(c8)cc(O)c(c82)cc(OC(O6)C(O)C(O)C(C6COC(O7)C(O)C(C(C(C)7)O)O)O)c(c(c3)cc(c(c3OC(C5O)OC(C(C5O)O)COC(C=Cc(c4)ccc(c4)O)=O)O)O)[o+1]2)O)O)=O
M END
