Mol:FL1D1ANP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | -3.2269 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2269 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2269 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2269 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5124 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5124 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7980 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7980 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7980 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7980 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5124 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5124 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8099 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8099 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.4447 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4447 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0881 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0881 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3577 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3577 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3941 -0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3941 -0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3941 -1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3941 -1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0285 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0285 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7430 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7430 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4575 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4575 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4575 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4575 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7430 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7430 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0285 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0285 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1719 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1719 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8864 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8864 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8864 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8864 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1719 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1719 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7430 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7430 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3302 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3302 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.4447 0.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4447 0.4224 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 |
− | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 4 9 1 0 0 0 0 | + | 4 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 |
− | 11 13 1 0 0 0 0 | + | 11 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 16 1 0 0 0 0 | + | 22 16 1 0 0 0 0 |
− | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
− | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
− | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1D1ANP0001 | + | ID FL1D1ANP0001 |
− | KNApSAcK_ID C00014614 | + | KNApSAcK_ID C00014614 |
− | NAME Crotaramin | + | NAME Crotaramin |
− | CAS_RN 255831-59-5 | + | CAS_RN 255831-59-5 |
− | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
− | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
− | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
− | SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)CCc(c1)ccc(OC)c1 | + | SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)CCc(c1)ccc(OC)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -3.2269 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2269 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -0.0244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 0.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5124 1.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8099 1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4447 0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0881 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 -0.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3941 -1.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 1.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 -0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 -0.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8864 0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1719 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -1.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 0.4224 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 1 7 1 0 0 0 0 7 8 1 0 0 0 0 4 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 11 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 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 16 1 0 0 0 0 14 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 S SKP 8 ID FL1D1ANP0001 KNApSAcK_ID C00014614 NAME Crotaramin CAS_RN 255831-59-5 FORMULA C21H22O4 EXACTMASS 338.151809192 AVERAGEMASS 338.39698 SMILES c(c3O)(ccc(c32)OC(C=C2)(C)C)C(=O)CCc(c1)ccc(OC)c1 M END