Mol:FL6FA9NS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
− | -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4462 0.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6361 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.6016 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 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 |
− | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
− | 3 17 1 0 0 0 0 | + | 3 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 |
− | 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 21 | + | M SBL 2 1 21 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 21 -2.1362 0.7355 | + | M SVB 2 21 -2.1362 0.7355 |
− | 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 19 | + | M SBL 1 1 19 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 19 -1.6591 -1.0073 | + | M SVB 1 19 -1.6591 -1.0073 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL6FA9NS0002 | + | ID FL6FA9NS0002 |
− | KNApSAcK_ID C00008751 | + | KNApSAcK_ID C00008751 |
− | NAME Tephrowatsin E | + | NAME Tephrowatsin E |
− | CAS_RN 97640-83-0 | + | CAS_RN 97640-83-0 |
− | FORMULA C17H18O3 | + | FORMULA C17H18O3 |
− | EXACTMASS 270.12559444199997 | + | EXACTMASS 270.12559444199997 |
− | AVERAGEMASS 270.32302 | + | AVERAGEMASS 270.32302 |
− | SMILES COc(c1)cc(O2)c(CC[C@H]2c(c3)cccc3)c(OC)1 | + | SMILES COc(c1)cc(O2)c(CC[C@H]2c(c3)cccc3)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/ 20 22 0 0 0 0 0 0 0 0999 V2000 -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 0.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 1.6016 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 6 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 3 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 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 19 20 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 -2.1362 0.7355 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 17 18 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 -1.6591 -1.0073 S SKP 8 ID FL6FA9NS0002 KNApSAcK_ID C00008751 NAME Tephrowatsin E CAS_RN 97640-83-0 FORMULA C17H18O3 EXACTMASS 270.12559444199997 AVERAGEMASS 270.32302 SMILES COc(c1)cc(O2)c(CC[C@H]2c(c3)cccc3)c(OC)1 M END