Mol:FL2FALNI0007
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | -1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1639 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.3314 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
− | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
− | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
− | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
− | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
− | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
− | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
− | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 33 0.6638 0.4653 | + | M SVB 1 33 0.6638 0.4653 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FALNI0007 | + | ID FL2FALNI0007 |
− | KNApSAcK_ID C00008433 | + | KNApSAcK_ID C00008433 |
− | NAME Leachianone A | + | NAME Leachianone A |
− | CAS_RN 97938-31-3 | + | CAS_RN 97938-31-3 |
− | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
− | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
− | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
− | SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C | + | SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 -1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1639 1.3314 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 15 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 20 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 33 M SMT 1 OCH3 M SVB 1 33 0.6638 0.4653 S SKP 8 ID FL2FALNI0007 KNApSAcK_ID C00008433 NAME Leachianone A CAS_RN 97938-31-3 FORMULA C26H30O6 EXACTMASS 438.204238692 AVERAGEMASS 438.51279999999997 SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C M END