Mol:FL1CQUNM0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 22 0 0 0 0 0 0 0 0999 V2000 | + | 21 22 0 0 0 0 0 0 0 0999 V2000 |
− | 1.3977 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3977 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3977 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3977 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9540 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9540 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5103 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5103 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5103 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5103 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9540 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9540 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2645 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8208 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8208 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2916 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2916 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8525 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8525 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2916 -1.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2916 -1.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8525 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8525 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4052 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4052 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9578 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9578 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9578 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9578 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4052 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4052 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4052 -1.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4052 -1.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5103 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5103 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2999 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2999 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9942 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9942 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8491 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8491 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 10 2 0 0 0 0 | + | 16 10 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 12 19 2 0 0 0 0 | + | 12 19 2 0 0 0 0 |
− | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
− | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CQUNM0001 | + | ID FL1CQUNM0001 |
− | KNApSAcK_ID C00007171 | + | KNApSAcK_ID C00007171 |
− | NAME Ohobanin | + | NAME Ohobanin |
− | CAS_RN 128502-81-8 | + | CAS_RN 128502-81-8 |
− | FORMULA C18H18O3 | + | FORMULA C18H18O3 |
− | EXACTMASS 282.12559444199997 | + | EXACTMASS 282.12559444199997 |
− | AVERAGEMASS 282.33371999999997 | + | AVERAGEMASS 282.33371999999997 |
− | SMILES C(=C1C(=O)C=Cc(c2)cccc2)(O)C(C)=CC(C1=O)(C)C | + | SMILES C(=C1C(=O)C=Cc(c2)cccc2)(O)C(C)=CC(C1=O)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 22 0 0 0 0 0 0 0 0999 V2000 1.3977 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 -0.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5103 0.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 0.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 -0.4532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8525 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 -1.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8525 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 0.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 0.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 -0.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 -1.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5103 -0.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2999 0.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9942 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8491 1.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 10 2 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 S SKP 8 ID FL1CQUNM0001 KNApSAcK_ID C00007171 NAME Ohobanin CAS_RN 128502-81-8 FORMULA C18H18O3 EXACTMASS 282.12559444199997 AVERAGEMASS 282.33371999999997 SMILES C(=C1C(=O)C=Cc(c2)cccc2)(O)C(C)=CC(C1=O)(C)C M END