Mol:FL2FAANI0026
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
− | -2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1873 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1873 2.4526 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 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FAANI0026 | + | ID FL2FAANI0026 |
− | KNApSAcK_ID C00014198 | + | KNApSAcK_ID C00014198 |
− | NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone | + | NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone |
− | CAS_RN 202054-73-7 | + | CAS_RN 202054-73-7 |
− | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
− | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
− | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
− | SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1 | + | SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 2.4526 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 7 17 2 0 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL2FAANI0026 KNApSAcK_ID C00014198 NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone CAS_RN 202054-73-7 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1 M END