Mol:FLIAEANS0005
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1194 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1194 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3992 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3992 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7768 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7768 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6684 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6684 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9539 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9539 -0.7004 0.0000 C 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 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 |
− | 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 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
− | M SBL 1 1 25 | + | M SBL 1 1 25 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 25 -6.1393 3.0888 | + | M SBV 1 25 -6.1393 3.0888 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAEANS0005 | + | ID FLIAEANS0005 |
− | KNApSAcK_ID C00009461 | + | KNApSAcK_ID C00009461 |
− | NAME Irisolone;4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone | + | NAME Irisolone;4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone |
− | CAS_RN 3301-68-6 | + | CAS_RN 3301-68-6 |
− | FORMULA C17H12O6 | + | FORMULA C17H12O6 |
− | EXACTMASS 312.063388116 | + | EXACTMASS 312.063388116 |
− | AVERAGEMASS 312.27358 | + | AVERAGEMASS 312.27358 |
− | SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)ccc(O)c4)3)cc(OCO2)1 | + | SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)ccc(O)c4)3)cc(OCO2)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 26 0 0 0 0 0 0 0 0999 V2000 -1.7883 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7883 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6757 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3992 -0.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7768 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6684 -0.2879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -0.7004 0.0000 C 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 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 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 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 14 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SBV 1 25 -6.1393 3.0888 S SKP 8 ID FLIAEANS0005 KNApSAcK_ID C00009461 NAME Irisolone;4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone CAS_RN 3301-68-6 FORMULA C17H12O6 EXACTMASS 312.063388116 AVERAGEMASS 312.27358 SMILES COc(c21)c(C(=O)3)c(OC=C(c(c4)ccc(O)c4)3)cc(OCO2)1 M END