Mol:FL1DA9NR0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -0.9991 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9991 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9991 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9991 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5343 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0696 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0696 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0696 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0696 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5343 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5343 -0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3948 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3948 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8581 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8581 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3213 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3213 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7845 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7845 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2477 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2477 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7109 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7109 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7109 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7109 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2477 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2477 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7845 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7845 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3948 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3948 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3948 0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3948 0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4186 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4186 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9418 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9418 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1747 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1747 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9418 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9418 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4186 -0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4186 -0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7109 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7109 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 8 17 2 0 0 0 0 | + | 8 17 2 0 0 0 0 |
− | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1DA9NR0003 | + | ID FL1DA9NR0003 |
− | KNApSAcK_ID C00008004 | + | KNApSAcK_ID C00008004 |
− | NAME 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone | + | NAME 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone |
− | CAS_RN 70056-37-0 | + | CAS_RN 70056-37-0 |
− | FORMULA C20H20O4 | + | FORMULA C20H20O4 |
− | EXACTMASS 324.136159128 | + | EXACTMASS 324.136159128 |
− | AVERAGEMASS 324.37039999999996 | + | AVERAGEMASS 324.37039999999996 |
− | SMILES CC(C3)=CCc(c(O3)1)c(c(C(=O)CCc(c2)cccc2)c(O)c1)O | + | SMILES CC(C3)=CCc(c(O3)1)c(c(C(=O)CCc(c2)cccc2)c(O)c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -0.9991 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9991 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -0.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 -0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0696 0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 -0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3213 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 -0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2477 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 0.5009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 -0.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3948 0.7714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 0.8379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 0.7185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1747 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9418 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4186 -0.3679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 0.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 8 17 2 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 2 1 0 0 0 0 21 24 1 0 0 0 0 S SKP 8 ID FL1DA9NR0003 KNApSAcK_ID C00008004 NAME 1-(2,5-dihydro-6,8-dihydroxy-3-methyl-1-benzoxepin-7-yl)-3-phenyl-1-propanone CAS_RN 70056-37-0 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES CC(C3)=CCc(c(O3)1)c(c(C(=O)CCc(c2)cccc2)c(O)c1)O M END