Mol:FL7AAGGL0055
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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| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
| − | 56 51 1 0 0 0 0 | + | 56 51 1 0 0 0 0 |
| − | 51 57 1 0 0 0 0 | + | 51 57 1 0 0 0 0 |
| − | 52 58 1 0 0 0 0 | + | 52 58 1 0 0 0 0 |
| − | 53 59 1 0 0 0 0 | + | 53 59 1 0 0 0 0 |
| − | 56 60 1 0 0 0 0 | + | 56 60 1 0 0 0 0 |
| − | 60 61 1 0 0 0 0 | + | 60 61 1 0 0 0 0 |
| − | 21 54 1 0 0 0 0 | + | 21 54 1 0 0 0 0 |
| − | 62 63 2 0 0 0 0 | + | 62 63 2 0 0 0 0 |
| − | 62 64 1 0 0 0 0 | + | 62 64 1 0 0 0 0 |
| − | 64 65 2 0 0 0 0 | + | 64 65 2 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 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 |
| − | 43 62 1 0 0 0 0 | + | 43 62 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0055 | + | ID FL7AAGGL0055 |
| − | KNApSAcK_ID C00014806 | + | KNApSAcK_ID C00014806 |
| − | NAME Ternatin C3 | + | NAME Ternatin C3 |
| − | CAS_RN 215378-76-0 | + | CAS_RN 215378-76-0 |
| − | FORMULA C45H49O27 | + | FORMULA C45H49O27 |
| − | EXACTMASS 1021.2461213619999 | + | EXACTMASS 1021.2461213619999 |
| − | AVERAGEMASS 1021.8543599999999 | + | AVERAGEMASS 1021.8543599999999 |
| − | SMILES C(O)(C7O)C(CO)OC(C7O)Oc(c3)c(c(cc3c(c5OC(O6)C(O)C(C(O)C6COC(CC(O)=O)=O)O)[o+1]c(c(c5)4)cc(cc(O)4)O)OC(O1)C(O)C(O)C(C1COC(C=Cc(c2)ccc(c2)O)=O)O)O | + | SMILES C(O)(C7O)C(CO)OC(C7O)Oc(c3)c(c(cc3c(c5OC(O6)C(O)C(C(O)C6COC(CC(O)=O)=O)O)[o+1]c(c(c5)4)cc(cc(O)4)O)OC(O1)C(O)C(O)C(C1COC(C=Cc(c2)ccc(c2)O)=O)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
72 78 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAGGL0055
KNApSAcK_ID C00014806
NAME Ternatin C3
CAS_RN 215378-76-0
FORMULA C45H49O27
EXACTMASS 1021.2461213619999
AVERAGEMASS 1021.8543599999999
SMILES C(O)(C7O)C(CO)OC(C7O)Oc(c3)c(c(cc3c(c5OC(O6)C(O)C(C(O)C6COC(CC(O)=O)=O)O)[o+1]c(c(c5)4)cc(cc(O)4)O)OC(O1)C(O)C(O)C(C1COC(C=Cc(c2)ccc(c2)O)=O)O)O
M END
