Mol:FL7AACGL0091
From Metabolomics.JP
(Difference between revisions)
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| − | 1.2181 -3.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2181 -3.8328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 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 |
| − | 5 10 1 0 0 0 0 | + | 5 10 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 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 26 1 1 0 0 0 | + | 20 26 1 1 0 0 0 |
| − | 21 27 1 1 0 0 0 | + | 21 27 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 15 31 1 0 0 0 0 | + | 15 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 40 1 1 0 0 0 | + | 34 40 1 1 0 0 0 |
| − | 35 41 1 1 0 0 0 | + | 35 41 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 33 36 1 0 0 0 0 | + | 33 36 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 38 40 1 0 0 0 0 | + | 38 40 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 40 41 1 1 0 0 0 | + | 40 41 1 1 0 0 0 |
| − | 24 35 1 0 0 0 0 | + | 24 35 1 0 0 0 0 |
| − | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
| − | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 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 |
| − | 46 51 1 0 0 0 0 | + | 46 51 1 0 0 0 0 |
| − | 49 52 1 0 0 0 0 | + | 49 52 1 0 0 0 0 |
| − | 50 53 1 0 0 0 0 | + | 50 53 1 0 0 0 0 |
| − | 48 54 1 0 0 0 0 | + | 48 54 1 0 0 0 0 |
| − | 30 55 2 0 0 0 0 | + | 30 55 2 0 0 0 0 |
| − | 30 56 1 0 0 0 0 | + | 30 56 1 0 0 0 0 |
| − | 56 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 57 58 1 0 0 0 0 | + | 57 58 1 0 0 0 0 |
| − | 58 59 2 0 0 0 0 | + | 58 59 2 0 0 0 0 |
| − | 59 60 1 0 0 0 0 | + | 59 60 1 0 0 0 0 |
| − | 60 61 2 0 0 0 0 | + | 60 61 2 0 0 0 0 |
| − | 61 62 1 0 0 0 0 | + | 61 62 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 58 63 1 0 0 0 0 | + | 58 63 1 0 0 0 0 |
| − | 61 64 1 0 0 0 0 | + | 61 64 1 0 0 0 0 |
| − | 66 67 1 0 0 0 0 | + | 66 67 1 0 0 0 0 |
| − | 67 73 1 1 0 0 0 | + | 67 73 1 1 0 0 0 |
| − | 68 74 1 1 0 0 0 | + | 68 74 1 1 0 0 0 |
| − | 68 69 1 0 0 0 0 | + | 68 69 1 0 0 0 0 |
| − | 66 69 1 0 0 0 0 | + | 66 69 1 0 0 0 0 |
| − | 65 68 1 0 0 0 0 | + | 65 68 1 0 0 0 0 |
| − | 70 74 1 0 0 0 0 | + | 70 74 1 0 0 0 0 |
| − | 71 73 1 0 0 0 0 | + | 71 73 1 0 0 0 0 |
| − | 69 72 1 0 0 0 0 | + | 69 72 1 0 0 0 0 |
| − | 73 74 1 1 0 0 0 | + | 73 74 1 1 0 0 0 |
| − | 72 75 1 0 0 0 0 | + | 72 75 1 0 0 0 0 |
| − | 64 67 1 0 0 0 0 | + | 64 67 1 0 0 0 0 |
| − | 3 76 1 0 0 0 0 | + | 3 76 1 0 0 0 0 |
| − | 78 79 1 0 0 0 0 | + | 78 79 1 0 0 0 0 |
| − | 79 85 1 1 0 0 0 | + | 79 85 1 1 0 0 0 |
| − | 80 86 1 1 0 0 0 | + | 80 86 1 1 0 0 0 |
| − | 80 81 1 0 0 0 0 | + | 80 81 1 0 0 0 0 |
| − | 78 81 1 0 0 0 0 | + | 78 81 1 0 0 0 0 |
| − | 77 80 1 0 0 0 0 | + | 77 80 1 0 0 0 0 |
| − | 82 86 1 0 0 0 0 | + | 82 86 1 0 0 0 0 |
| − | 83 85 1 0 0 0 0 | + | 83 85 1 0 0 0 0 |
| − | 81 84 1 0 0 0 0 | + | 81 84 1 0 0 0 0 |
| − | 85 86 1 1 0 0 0 | + | 85 86 1 1 0 0 0 |
| − | 84 87 1 0 0 0 0 | + | 84 87 1 0 0 0 0 |
| − | 76 79 1 0 0 0 0 | + | 76 79 1 0 0 0 0 |
| − | 53 88 1 0 0 0 0 | + | 53 88 1 0 0 0 0 |
| − | 54 89 1 0 0 0 0 | + | 54 89 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0091 | + | ID FL7AACGL0091 |
| − | FORMULA C58H65O31 | + | FORMULA C58H65O31 |
| − | EXACTMASS 1257.350980362 | + | EXACTMASS 1257.350980362 |
| − | AVERAGEMASS 1258.1181000000001 | + | AVERAGEMASS 1258.1181000000001 |
| − | SMILES C(O)(C1COC(C=Cc(c8)ccc(OC(C9O)OC(CO)C(C9O)O)c8)=O)C(O)C(OC(O7)C(C(C(C7)O)O)OC(=O)C=Cc(c6)cc(OC)c(c6OC)O)C(Oc(c3)c([o+1]c(c5)c3c(cc(O)5)OC(O4)C(C(O)C(O)C4CO)O)c(c2)ccc(c(O)2)O)O1 | + | SMILES C(O)(C1COC(C=Cc(c8)ccc(OC(C9O)OC(CO)C(C9O)O)c8)=O)C(O)C(OC(O7)C(C(C(C7)O)O)OC(=O)C=Cc(c6)cc(OC)c(c6OC)O)C(Oc(c3)c([o+1]c(c5)c3c(cc(O)5)OC(O4)C(C(O)C(O)C4CO)O)c(c2)ccc(c(O)2)O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
89 97 0 0 0 0 0 0 0 0999 V2000
-2.0158 3.1052 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 FL7AACGL0091
FORMULA C58H65O31
EXACTMASS 1257.350980362
AVERAGEMASS 1258.1181000000001
SMILES C(O)(C1COC(C=Cc(c8)ccc(OC(C9O)OC(CO)C(C9O)O)c8)=O)C(O)C(OC(O7)C(C(C(C7)O)O)OC(=O)C=Cc(c6)cc(OC)c(c6OC)O)C(Oc(c3)c([o+1]c(c5)c3c(cc(O)5)OC(O4)C(C(O)C(O)C4CO)O)c(c2)ccc(c(O)2)O)O1
M END
