Mol:FL7AAGGL0025
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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| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
| − | 43 38 1 0 0 0 0 | + | 43 38 1 0 0 0 0 |
| − | 41 44 1 0 0 0 0 | + | 41 44 1 0 0 0 0 |
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| − | 46 47 1 1 0 0 0 | + | 46 47 1 1 0 0 0 |
| − | 48 47 1 1 0 0 0 | + | 48 47 1 1 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 45 1 0 0 0 0 | + | 50 45 1 0 0 0 0 |
| − | 45 51 1 0 0 0 0 | + | 45 51 1 0 0 0 0 |
| − | 46 52 1 0 0 0 0 | + | 46 52 1 0 0 0 0 |
| − | 47 53 1 0 0 0 0 | + | 47 53 1 0 0 0 0 |
| − | 48 19 1 0 0 0 0 | + | 48 19 1 0 0 0 0 |
| − | 50 54 1 0 0 0 0 | + | 50 54 1 0 0 0 0 |
| − | 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 57 2 0 0 0 0 | + | 56 57 2 0 0 0 0 |
| − | 56 58 1 0 0 0 0 | + | 56 58 1 0 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 |
| − | 59 61 2 0 0 0 0 | + | 59 61 2 0 0 0 0 |
| − | 51 62 1 0 0 0 0 | + | 51 62 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 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 65 67 2 0 0 0 0 | + | 65 67 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0025 | + | ID FL7AAGGL0025 |
| − | KNApSAcK_ID C00006888 | + | KNApSAcK_ID C00006888 |
| − | NAME Dimalonylawobanin | + | NAME Dimalonylawobanin |
| − | CAS_RN 128508-49-6 | + | CAS_RN 128508-49-6 |
| − | FORMULA C42H41O25 | + | FORMULA C42H41O25 |
| − | EXACTMASS 945.1936918619999 | + | EXACTMASS 945.1936918619999 |
| − | AVERAGEMASS 945.75994 | + | AVERAGEMASS 945.75994 |
| − | SMILES c(c(OC(C(O)6)OC(C(OC(CC(O)=O)=O)C(O)6)COC(=O)CC(O)=O)1)c(cc([o+1]2)c1cc(OC(O4)C(C(C(O)C4COC(=O)C=Cc(c5)ccc(c5)O)O)O)c(c(c3)cc(c(O)c3O)O)2)O | + | SMILES c(c(OC(C(O)6)OC(C(OC(CC(O)=O)=O)C(O)6)COC(=O)CC(O)=O)1)c(cc([o+1]2)c1cc(OC(O4)C(C(C(O)C4COC(=O)C=Cc(c5)ccc(c5)O)O)O)c(c(c3)cc(c(O)c3O)O)2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
67 72 0 0 0 0 0 0 0 0999 V2000
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S SKP 8
ID FL7AAGGL0025
KNApSAcK_ID C00006888
NAME Dimalonylawobanin
CAS_RN 128508-49-6
FORMULA C42H41O25
EXACTMASS 945.1936918619999
AVERAGEMASS 945.75994
SMILES c(c(OC(C(O)6)OC(C(OC(CC(O)=O)=O)C(O)6)COC(=O)CC(O)=O)1)c(cc([o+1]2)c1cc(OC(O4)C(C(C(O)C4COC(=O)C=Cc(c5)ccc(c5)O)O)O)c(c(c3)cc(c(O)c3O)O)2)O
M END
