Mol:FLIHALNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4742 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4742 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4742 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4742 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9179 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9179 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3616 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3616 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3616 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3616 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9179 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9179 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1947 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1947 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7510 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7510 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7510 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7510 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1947 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1947 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3071 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3071 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3071 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3071 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9019 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9019 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4966 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4966 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4966 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9019 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9019 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0303 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0303 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0303 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0303 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3071 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3071 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9019 0.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9019 0.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0908 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0908 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5864 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5864 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5864 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5864 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5864 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5864 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0908 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0908 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3544 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3544 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6399 -0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6399 -0.8602 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
− | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 9 19 2 0 0 0 0 | + | 9 19 2 0 0 0 0 |
− | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
− | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
− | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
− | M SBL 1 1 29 | + | M SBL 1 1 29 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 29 -6.4234 4.1871 | + | M SBV 1 29 -6.4234 4.1871 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIHALNP0001 | + | ID FLIHALNP0001 |
− | KNApSAcK_ID C00010041 | + | KNApSAcK_ID C00010041 |
− | NAME Isoglycycoumarin | + | NAME Isoglycycoumarin |
− | CAS_RN 117038-82-1 | + | CAS_RN 117038-82-1 |
− | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
− | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
− | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
− | SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)C)c1)OC | + | SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)C)c1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4742 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3616 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9179 0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 -0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1947 0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -0.9738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 0.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 0.9975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 0.7425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0908 -1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 0.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 0.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5864 1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0908 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -0.4477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6399 -0.8602 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 2 0 0 0 0 8 9 1 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 2 17 1 0 0 0 0 1 18 1 0 0 0 0 9 19 2 0 0 0 0 16 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 29 M SMT 1 OCH3 M SBV 1 29 -6.4234 4.1871 S SKP 8 ID FLIHALNP0001 KNApSAcK_ID C00010041 NAME Isoglycycoumarin CAS_RN 117038-82-1 FORMULA C21H20O6 EXACTMASS 368.125988372 AVERAGEMASS 368.37989999999996 SMILES C(=C(c(c4)c(O)cc(O)c4)3)c(c(OC(=O)3)1)c(c(C2)c(OC(C2)(C)C)c1)OC M END