Mol:FL7AAGGL0047
From Metabolomics.JP
(Difference between revisions)
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| − | 88 96 0 0 0 0 0 0 0 0999 V2000 | + | 88 96 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 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 1 0 0 0 | + | 35 36 1 1 0 0 0 |
| − | 37 36 1 1 0 0 0 | + | 37 36 1 1 0 0 0 |
| − | 38 37 1 1 0 0 0 | + | 38 37 1 1 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
| − | 38 33 1 0 0 0 0 | + | 38 33 1 0 0 0 0 |
| − | 43 44 1 0 0 0 0 | + | 43 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
| − | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
| − | 51 52 1 0 0 0 0 | + | 51 52 1 0 0 0 0 |
| − | 52 53 2 0 0 0 0 | + | 52 53 2 0 0 0 0 |
| − | 53 48 1 0 0 0 0 | + | 53 48 1 0 0 0 0 |
| − | 51 54 1 0 0 0 0 | + | 51 54 1 0 0 0 0 |
| − | 43 35 1 0 0 0 0 | + | 43 35 1 0 0 0 0 |
| − | 55 56 1 1 0 0 0 | + | 55 56 1 1 0 0 0 |
| − | 56 57 1 1 0 0 0 | + | 56 57 1 1 0 0 0 |
| − | 58 57 1 1 0 0 0 | + | 58 57 1 1 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 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 65 1 0 0 0 0 | + | 57 65 1 0 0 0 0 |
| − | 58 54 1 0 0 0 0 | + | 58 54 1 0 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 66 68 1 0 0 0 0 | + | 66 68 1 0 0 0 0 |
| − | 68 69 2 0 0 0 0 | + | 68 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 74 1 0 0 0 0 | + | 73 74 1 0 0 0 0 |
| − | 74 75 2 0 0 0 0 | + | 74 75 2 0 0 0 0 |
| − | 75 70 1 0 0 0 0 | + | 75 70 1 0 0 0 0 |
| − | 73 76 1 0 0 0 0 | + | 73 76 1 0 0 0 0 |
| − | 72 77 1 0 0 0 0 | + | 72 77 1 0 0 0 0 |
| − | 62 66 1 0 0 0 0 | + | 62 66 1 0 0 0 0 |
| − | 78 79 1 1 0 0 0 | + | 78 79 1 1 0 0 0 |
| − | 79 80 1 1 0 0 0 | + | 79 80 1 1 0 0 0 |
| − | 81 80 1 1 0 0 0 | + | 81 80 1 1 0 0 0 |
| − | 81 82 1 0 0 0 0 | + | 81 82 1 0 0 0 0 |
| − | 82 83 1 0 0 0 0 | + | 82 83 1 0 0 0 0 |
| − | 83 78 1 0 0 0 0 | + | 83 78 1 0 0 0 0 |
| − | 83 84 1 0 0 0 0 | + | 83 84 1 0 0 0 0 |
| − | 84 85 1 0 0 0 0 | + | 84 85 1 0 0 0 0 |
| − | 78 86 1 0 0 0 0 | + | 78 86 1 0 0 0 0 |
| − | 79 87 1 0 0 0 0 | + | 79 87 1 0 0 0 0 |
| − | 80 88 1 0 0 0 0 | + | 80 88 1 0 0 0 0 |
| − | 81 20 1 0 0 0 0 | + | 81 20 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AAGGL0047 | + | ID FL7AAGGL0047 |
| − | FORMULA C57H63O31 | + | FORMULA C57H63O31 |
| − | EXACTMASS 1243.335330298 | + | EXACTMASS 1243.335330298 |
| − | AVERAGEMASS 1244.09152 | + | AVERAGEMASS 1244.09152 |
| − | SMILES OC(C5O)C(C(OC(COC(C9O)OC(C(C9O)OC(=O)C=Cc(c6)ccc(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)c6)C)5)Oc(c2c(c4)cc(c(c4O)O)O)cc(c1OC(C(O)3)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O)O | + | SMILES OC(C5O)C(C(OC(COC(C9O)OC(C(C9O)OC(=O)C=Cc(c6)ccc(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)c6)C)5)Oc(c2c(c4)cc(c(c4O)O)O)cc(c1OC(C(O)3)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
88 96 0 0 0 0 0 0 0 0999 V2000
-1.3556 5.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3556 4.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6412 4.0754 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 FL7AAGGL0047
FORMULA C57H63O31
EXACTMASS 1243.335330298
AVERAGEMASS 1244.09152
SMILES OC(C5O)C(C(OC(COC(C9O)OC(C(C9O)OC(=O)C=Cc(c6)ccc(OC(C8O)OC(C(O)C8O)COC(C=Cc(c7)ccc(O)c(O)7)=O)c6)C)5)Oc(c2c(c4)cc(c(c4O)O)O)cc(c1OC(C(O)3)OC(C(O)C3O)CO)c([o+1]2)cc(c1)O)O
M END
