Mol:FL1CUNNS0002
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
− | -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6414 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6414 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3558 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3558 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4619 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4619 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8941 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8941 -0.2143 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 3 7 2 0 0 0 0 | + | 3 7 2 0 0 0 0 |
− | 4 8 2 0 0 0 0 | + | 4 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 11 1 0 0 0 0 | + | 10 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 |
− | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 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 |
− | 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 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 17 18 | + | M SAL 1 2 17 18 |
− | M SBL 1 1 18 | + | M SBL 1 1 18 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 18 -4.8447 4.7595 | + | M SBV 1 18 -4.8447 4.7595 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 19 20 | + | M SAL 2 2 19 20 |
− | M SBL 2 1 20 | + | M SBL 2 1 20 |
− | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
− | M SBV 2 20 -5.7197 4.7907 | + | M SBV 2 20 -5.7197 4.7907 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 21 22 | + | M SAL 3 2 21 22 |
− | M SBL 3 1 22 | + | M SBL 3 1 22 |
− | M SMT 3 ^OCH3 | + | M SMT 3 ^OCH3 |
− | M SBV 3 22 -6.1519 4.0370 | + | M SBV 3 22 -6.1519 4.0370 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CUNNS0002 | + | ID FL1CUNNS0002 |
− | KNApSAcK_ID C00007168 | + | KNApSAcK_ID C00007168 |
− | NAME Methylliderone | + | NAME Methylliderone |
− | CAS_RN 3984-73-4 | + | CAS_RN 3984-73-4 |
− | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
− | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
− | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
− | SMILES COC(C=Cc(c2)cccc2)=C(C(=O)1)C(=O)C(OC)=C(OC)1 | + | SMILES COC(C=Cc(c2)cccc2)=C(C(=O)1)C(=O)C(OC)=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/ 22 23 0 0 0 0 0 0 0 0999 V2000 -1.8787 0.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 1.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 -0.7713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 -0.0869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6086 -1.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3558 0.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 1.7176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6086 0.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8941 -0.2143 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 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 5 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 8 17 1 0 0 0 0 17 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 1 18 M SMT 1 OCH3 M SBV 1 18 -4.8447 4.7595 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 19 20 M SBL 2 1 20 M SMT 2 ^OCH3 M SBV 2 20 -5.7197 4.7907 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 21 22 M SBL 3 1 22 M SMT 3 ^OCH3 M SBV 3 22 -6.1519 4.0370 S SKP 8 ID FL1CUNNS0002 KNApSAcK_ID C00007168 NAME Methylliderone CAS_RN 3984-73-4 FORMULA C17H16O5 EXACTMASS 300.099773622 AVERAGEMASS 300.30593999999996 SMILES COC(C=Cc(c2)cccc2)=C(C(=O)1)C(=O)C(OC)=C(OC)1 M END