Mol:FLIA2ANS0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5606 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8616 2.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8616 2.1723 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 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 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 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 22 -2.3617 1.3062 | + | M SVB 1 22 -2.3617 1.3062 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA2ANS0004 | + | ID FLIA2ANS0004 |
− | KNApSAcK_ID C00009391 | + | KNApSAcK_ID C00009391 |
− | NAME Kakkatin | + | NAME Kakkatin |
− | CAS_RN 57960-04-0 | + | CAS_RN 57960-04-0 |
− | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
− | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
− | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
− | SMILES COc(c3)c(O)cc(c23)C(=O)C(=CO2)c(c1)ccc(O)c1 | + | SMILES COc(c3)c(O)cc(c23)C(=O)C(=CO2)c(c1)ccc(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 21 23 0 0 0 0 0 0 0 0999 V2000 -2.0045 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0045 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4482 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2207 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3716 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3356 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 -0.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8616 2.1723 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 14 18 1 0 0 0 0 2 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.3617 1.3062 S SKP 8 ID FLIA2ANS0004 KNApSAcK_ID C00009391 NAME Kakkatin CAS_RN 57960-04-0 FORMULA C16H12O5 EXACTMASS 284.068473494 AVERAGEMASS 284.26348 SMILES COc(c3)c(O)cc(c23)C(=O)C(=CO2)c(c1)ccc(O)c1 M END