Mol:FLIAEANS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4344 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4344 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4344 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4344 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9686 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9686 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5029 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5029 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5029 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5029 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9686 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9686 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0371 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0371 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4287 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4287 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4287 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4287 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0371 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0371 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8945 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3602 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3602 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8945 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8945 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3602 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3602 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8260 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8260 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8260 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8260 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0371 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0371 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9686 -0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9686 -0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9826 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9826 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2916 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2916 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9345 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9345 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2916 -0.9411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2916 -0.9411 0.0000 O 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 8 11 1 0 0 0 0 | + | 8 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 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 3 18 1 0 0 0 0 | + | 3 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 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAEANS0001 | + | ID FLIAEANS0001 |
− | KNApSAcK_ID C00002539 | + | KNApSAcK_ID C00002539 |
− | NAME Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone | + | NAME Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone |
− | CAS_RN 41653-81-0 | + | CAS_RN 41653-81-0 |
− | FORMULA C16H10O6 | + | FORMULA C16H10O6 |
− | EXACTMASS 298.047738052 | + | EXACTMASS 298.047738052 |
− | AVERAGEMASS 298.24699999999996 | + | AVERAGEMASS 298.24699999999996 |
− | SMILES Oc(c4)ccc(c4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1 | + | SMILES Oc(c4)ccc(c4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)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/ 22 25 0 0 0 0 0 0 0 0999 V2000 -1.4344 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5029 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5029 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 0.9412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8945 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 -0.9412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0371 -0.6271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -0.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9826 0.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 0.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9345 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2916 -0.9411 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 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 12 1 0 0 0 0 7 17 2 0 0 0 0 3 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 2 1 0 0 0 0 15 22 1 0 0 0 0 S SKP 8 ID FLIAEANS0001 KNApSAcK_ID C00002539 NAME Irilone;5,4'-Dihydroxy-6,7-methylenedioxyisoflavone CAS_RN 41653-81-0 FORMULA C16H10O6 EXACTMASS 298.047738052 AVERAGEMASS 298.24699999999996 SMILES Oc(c4)ccc(c4)C(=C3)C(=O)c(c(O3)1)c(O)c(O2)c(OC2)c1 M END