Mol:FLID1CNS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 27 0 0 0 0 0 0 0 0999 V2000 | + | 23 27 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7996 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7996 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7996 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7996 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2992 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7987 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7987 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7987 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7987 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2992 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2992 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2983 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2983 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2021 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2021 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2021 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2021 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2983 1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2983 1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2408 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2408 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1782 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1782 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3965 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3965 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6316 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6316 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7362 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3109 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3109 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5460 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5460 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2063 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2063 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8964 0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8964 0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0946 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0946 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2408 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2408 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1207 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1207 -0.4334 0.0000 O 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 |
− | 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 |
− | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
− | 7 12 1 0 0 0 0 | + | 7 12 1 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 8 1 0 0 0 0 | + | 14 8 1 0 0 0 0 |
− | 13 15 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
− | 8 19 1 6 0 0 0 | + | 8 19 1 6 0 0 0 |
− | 7 20 1 6 0 0 0 | + | 7 20 1 6 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 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 |
− | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLID1CNS0001 | + | ID FLID1CNS0001 |
− | KNApSAcK_ID C00002546 | + | KNApSAcK_ID C00002546 |
− | NAME (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan | + | NAME (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan |
− | CAS_RN 2035-15-6 | + | CAS_RN 2035-15-6 |
− | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
− | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
− | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
− | SMILES Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1 | + | SMILES Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 27 0 0 0 0 0 0 0 0999 V2000 -1.7996 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7996 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7987 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 0.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2021 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2983 1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2408 1.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -0.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 -0.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -0.9613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -0.9009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2063 0.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8964 0.8216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -0.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 -0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1207 -0.4334 0.0000 O 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 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 1 11 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 13 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 14 1 0 0 0 0 8 19 1 6 0 0 0 7 20 1 6 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 S SKP 8 ID FLID1CNS0001 KNApSAcK_ID C00002546 NAME (-)-Maackiain;Inermin;Demethylpterocarpin;3-Hydroxy-8,9-methylenedioxypterocarpan CAS_RN 2035-15-6 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1 M END