Mol:FL63AGGC0001
From Metabolomics.JP
(Difference between revisions)
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| − | 43 45 1 6 0 0 0 | + | 43 45 1 6 0 0 0 |
| − | 45 46 2 0 0 0 0 | + | 45 46 2 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 48 2 0 0 0 0 | + | 47 48 2 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 2 0 0 0 0 | + | 49 50 2 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 49 51 1 0 0 0 0 | + | 49 51 1 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 42 54 1 1 0 0 0 | + | 42 54 1 1 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 57 1 0 0 0 0 | + | 62 57 1 0 0 0 0 |
| − | 59 63 1 0 0 0 0 | + | 59 63 1 0 0 0 0 |
| − | 60 64 1 0 0 0 0 | + | 60 64 1 0 0 0 0 |
| − | 61 65 1 0 0 0 0 | + | 61 65 1 0 0 0 0 |
| − | 41 66 1 6 0 0 0 | + | 41 66 1 6 0 0 0 |
| − | 66 67 2 0 0 0 0 | + | 66 67 2 0 0 0 0 |
| − | 67 68 1 0 0 0 0 | + | 67 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 66 1 0 0 0 0 | + | 71 66 1 0 0 0 0 |
| − | 69 72 1 0 0 0 0 | + | 69 72 1 0 0 0 0 |
| − | 67 73 1 0 0 0 0 | + | 67 73 1 0 0 0 0 |
| − | 71 74 1 0 0 0 0 | + | 71 74 1 0 0 0 0 |
| − | 37 75 1 0 0 0 0 | + | 37 75 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63AGGC0001 | + | ID FL63AGGC0001 |
| − | KNApSAcK_ID C00009325 | + | KNApSAcK_ID C00009325 |
| − | NAME Glochiin C1 | + | NAME Glochiin C1 |
| − | CAS_RN 172617-78-6 | + | CAS_RN 172617-78-6 |
| − | FORMULA C48H40O27 | + | FORMULA C48H40O27 |
| − | EXACTMASS 1048.175696074 | + | EXACTMASS 1048.175696074 |
| − | AVERAGEMASS 1048.815 | + | AVERAGEMASS 1048.815 |
| − | SMILES Oc(c1)c(O)c(O)cc(C(=O)OC(C(c(c(O)8)c(O)cc(O)c8)2)C(c(c7)cc(c(c7O)O)O)Oc(c3)c2c(O)cc(OC(C5OC(c(c6)cc(c(O)c6O)O)=O)OC(C(O)C5O)COC(c(c4)cc(c(c4O)O)O)=O)3)1 | + | SMILES Oc(c1)c(O)c(O)cc(C(=O)OC(C(c(c(O)8)c(O)cc(O)c8)2)C(c(c7)cc(c(c7O)O)O)Oc(c3)c2c(O)cc(OC(C5OC(c(c6)cc(c(O)c6O)O)=O)OC(C(O)C5O)COC(c(c4)cc(c(c4O)O)O)=O)3)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
75 82 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL63AGGC0001
KNApSAcK_ID C00009325
NAME Glochiin C1
CAS_RN 172617-78-6
FORMULA C48H40O27
EXACTMASS 1048.175696074
AVERAGEMASS 1048.815
SMILES Oc(c1)c(O)c(O)cc(C(=O)OC(C(c(c(O)8)c(O)cc(O)c8)2)C(c(c7)cc(c(c7O)O)O)Oc(c3)c2c(O)cc(OC(C5OC(c(c6)cc(c(O)c6O)O)=O)OC(C(O)C5O)COC(c(c4)cc(c(c4O)O)O)=O)3)1
M END
