Mol:FL1CA9NP0004
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
− | 1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9142 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9142 0.5153 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 |
− | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
− | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
− | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
− | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
− | 21 20 1 0 0 0 0 | + | 21 20 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
− | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
− | M SBL 1 1 26 | + | M SBL 1 1 26 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 26 -5.0122 4.3432 | + | M SBV 1 26 -5.0122 4.3432 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CA9NP0004 | + | ID FL1CA9NP0004 |
− | KNApSAcK_ID C00007084 | + | KNApSAcK_ID C00007084 |
− | NAME Pongachalcone I | + | NAME Pongachalcone I |
− | CAS_RN 41724-53-2,51703-76-5 | + | CAS_RN 41724-53-2,51703-76-5 |
− | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
− | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
− | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
− | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(C)C | + | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(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/ 25 27 0 0 0 0 0 0 0 0999 V2000 1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9142 0.5153 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 16 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 2 0 0 0 0 18 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 12 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SBV 1 26 -5.0122 4.3432 S SKP 8 ID FL1CA9NP0004 KNApSAcK_ID C00007084 NAME Pongachalcone I CAS_RN 41724-53-2,51703-76-5 FORMULA C21H20O4 EXACTMASS 336.136159128 AVERAGEMASS 336.38109999999995 SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(C)C M END