Mol:FL7AACGL0119
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 34 38 1 0 0 0 0 | + | 34 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 32 40 1 0 0 0 0 | + | 32 40 1 0 0 0 0 |
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| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 43 28 1 0 0 0 0 | + | 43 28 1 0 0 0 0 |
| − | 35 20 1 0 0 0 0 | + | 35 20 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 46 50 1 0 0 0 0 | + | 46 50 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 47 31 1 0 0 0 0 | + | 47 31 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 53 55 1 0 0 0 0 | + | 53 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 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 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 60 63 1 0 0 0 0 | + | 60 63 1 0 0 0 0 |
| − | 43 53 1 0 0 0 0 | + | 43 53 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AACGL0119 | + | ID FL7AACGL0119 |
| − | FORMULA C41H45O22 | + | FORMULA C41H45O22 |
| − | EXACTMASS 889.240248124 | + | EXACTMASS 889.240248124 |
| − | AVERAGEMASS 889.7828 | + | AVERAGEMASS 889.7828 |
| − | SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O | + | SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 69 0 0 0 0 0 0 0 0999 V2000
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1.2950 2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7860 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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61 62 2 0 0 0 0
62 57 1 0 0 0 0
60 63 1 0 0 0 0
43 53 1 0 0 0 0
M CHG 1 10 1
S SKP 5
ID FL7AACGL0119
FORMULA C41H45O22
EXACTMASS 889.240248124
AVERAGEMASS 889.7828
SMILES Oc(c(O)7)ccc(c7)c([o+1]4)c(cc(c5OC(O6)C(C(O)C(C6CO)O)O)c4cc(c5)O)OC(C(OC(C(O)3)OCC(O)C3O)1)OC(COC(=O)C=Cc(c2)ccc(O)c2)C(O)C1O
M END
