Mol:FL2FAANI0027
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -5.0069 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 -1.0622 ...) |
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Line 67: | Line 67: | ||
14 21 1 0 | 14 21 1 0 | ||
28 31 1 0 | 28 31 1 0 | ||
− | S SKP | + | S SKP 7 |
ID FL2FAANI0027 | ID FL2FAANI0027 | ||
+ | NAME Propolin E | ||
+ | CAS_RN 944706-28-9 | ||
FORMULA C25H30O6 | FORMULA C25H30O6 | ||
EXACTMASS 426.204238692 | EXACTMASS 426.204238692 | ||
+ | AVERAGEMASS | ||
+ | SMILES | ||
AVERAGEMASS 426.5021 | AVERAGEMASS 426.5021 | ||
SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | ||
M END | M END |
Latest revision as of 17:41, 28 July 2009
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -5.0069 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3031 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0069 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 0.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 0.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -1.8130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 0.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 1.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4878 1.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3017 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7102 0.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 0.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8505 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 0.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 0.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 -0.1930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 1 1 0 3 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 4 1 0 9 11 1 0 7 12 2 0 11 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 11 1 0 2 18 1 0 15 19 1 0 6 20 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 14 21 1 0 28 31 1 0 S SKP 7 ID FL2FAANI0027 NAME Propolin E CAS_RN 944706-28-9 FORMULA C25H30O6 EXACTMASS 426.204238692 AVERAGEMASS SMILES AVERAGEMASS 426.5021 SMILES CC(CCCC(C)(C)O)=CCc(c(O)3)cc(cc3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 M END