Mol:FL7AAGGL0026
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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| − | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
| − | 40 41 2 0 0 0 0 | + | 40 41 2 0 0 0 0 |
| − | 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 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 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 |
| − | 42 68 1 0 0 0 0 | + | 42 68 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAGGL0026 | + | ID FL7AAGGL0026 |
| − | KNApSAcK_ID C00006889 | + | KNApSAcK_ID C00006889 |
| − | NAME Salviadelphin | + | NAME Salviadelphin |
| − | CAS_RN 128508-45-2 | + | CAS_RN 128508-45-2 |
| − | FORMULA C42H41O26 | + | FORMULA C42H41O26 |
| − | EXACTMASS 961.188606484 | + | EXACTMASS 961.188606484 |
| − | AVERAGEMASS 961.7593400000001 | + | AVERAGEMASS 961.7593400000001 |
| − | SMILES c(c6)(cc(c(O)c6O)O)c([o+1]5)c(cc(c54)c(cc(O)c4)OC(C(O)3)OC(C(OC(CC(O)=O)=O)C(O)3)COC(=O)CC(O)=O)OC(C1O)OC(COC(=O)C=Cc(c2)cc(O)c(c2)O)C(C1O)O | + | SMILES c(c6)(cc(c(O)c6O)O)c([o+1]5)c(cc(c54)c(cc(O)c4)OC(C(O)3)OC(C(OC(CC(O)=O)=O)C(O)3)COC(=O)CC(O)=O)OC(C1O)OC(COC(=O)C=Cc(c2)cc(O)c(c2)O)C(C1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
68 73 0 0 0 0 0 0 0 0999 V2000
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0.3177 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8740 0.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8740 1.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 8
ID FL7AAGGL0026
KNApSAcK_ID C00006889
NAME Salviadelphin
CAS_RN 128508-45-2
FORMULA C42H41O26
EXACTMASS 961.188606484
AVERAGEMASS 961.7593400000001
SMILES c(c6)(cc(c(O)c6O)O)c([o+1]5)c(cc(c54)c(cc(O)c4)OC(C(O)3)OC(C(OC(CC(O)=O)=O)C(O)3)COC(=O)CC(O)=O)OC(C1O)OC(COC(=O)C=Cc(c2)cc(O)c(c2)O)C(C1O)O
M END
