Mol:FLIH3LNF0001
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
− | 4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 9 17 2 0 0 0 0 | + | 9 17 2 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
− | 6 24 1 0 0 0 0 | + | 6 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 2 2 26 27 |
− | M SBL 2 1 30 | + | M SBL 2 1 30 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 30 0.0472 -1.0403 | + | M SVB 2 30 0.0472 -1.0403 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
− | M SBL 1 1 28 | + | M SBL 1 1 28 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 28 -1.1853 1.4528 | + | M SVB 1 28 -1.1853 1.4528 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIH3LNF0001 | + | ID FLIH3LNF0001 |
− | KNApSAcK_ID C00009784 | + | KNApSAcK_ID C00009784 |
− | NAME Neofolin | + | NAME Neofolin |
− | CAS_RN 10338-02-0 | + | CAS_RN 10338-02-0 |
− | FORMULA C20H14O7 | + | FORMULA C20H14O7 |
− | EXACTMASS 366.073952802 | + | EXACTMASS 366.073952802 |
− | AVERAGEMASS 366.32096 | + | AVERAGEMASS 366.32096 |
− | SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 | + | SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 |
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 31 0 0 0 0 0 0 0 0999 V2000 4.1507 -0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0759 -0.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 -1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3639 -1.6951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 -1.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 -1.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 -2.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1977 -2.3156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -2.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0171 -1.7082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 -3.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -3.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 -3.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 -3.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7231 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6225 0.0177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9881 0.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -2.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5205 -3.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 -1.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7617 -1.4528 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0 12 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 11 2 0 0 0 0 1 2 1 0 0 0 0 9 17 2 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 15 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 2 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 12 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 0.0472 -1.0403 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.1853 1.4528 S SKP 8 ID FLIH3LNF0001 KNApSAcK_ID C00009784 NAME Neofolin CAS_RN 10338-02-0 FORMULA C20H14O7 EXACTMASS 366.073952802 AVERAGEMASS 366.32096 SMILES COc(c2)c(C(C(=O)3)=Cc(c4)c(c(c(o5)c(cc5)4)OC)O3)cc(c12)OCO1 M END