Mol:FLIAE8NS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
− | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9970 -0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9970 -0.1966 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 |
− | 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 |
− | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
− | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 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 21 22 | + | M SAL 1 2 21 22 |
− | M SBL 1 1 23 | + | M SBL 1 1 23 |
− | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
− | M SBV 1 23 -6.9116 3.3408 | + | M SBV 1 23 -6.9116 3.3408 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
− | M SBL 2 1 25 | + | M SBL 2 1 25 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 25 -5.6030 3.5924 | + | M SBV 2 25 -5.6030 3.5924 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAE8NS0003 | + | ID FLIAE8NS0003 |
− | KNApSAcK_ID C00009472 | + | KNApSAcK_ID C00009472 |
− | NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone | + | NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone |
− | CAS_RN 479-97-0 | + | CAS_RN 479-97-0 |
− | FORMULA C17H14O7 | + | FORMULA C17H14O7 |
− | EXACTMASS 330.073952802 | + | EXACTMASS 330.073952802 |
− | AVERAGEMASS 330.28886 | + | AVERAGEMASS 330.28886 |
− | SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 | + | SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)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/ 24 26 0 0 0 0 0 0 0 0999 V2000 -2.2825 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4988 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6136 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8386 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0954 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 0.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2825 0.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -0.1966 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 12 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 ^OCH3 M SBV 1 23 -6.9116 3.3408 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SBV 2 25 -5.6030 3.5924 S SKP 8 ID FLIAE8NS0003 KNApSAcK_ID C00009472 NAME Podospicatin;5,7,2'-Trihydroxy-6,5'-dimethoxyisoflavone CAS_RN 479-97-0 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c3)cc(c(O)c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1 M END