Mol:FLIG1LNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8807 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8807 2.1196 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 2 0 0 0 0 | + | 8 9 2 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 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
− | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
− | 19 16 1 0 0 0 0 | + | 19 16 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 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 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
− | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
− | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIG1LNP0001 | + | ID FLIG1LNP0001 |
− | KNApSAcK_ID C00009532 | + | KNApSAcK_ID C00009532 |
− | NAME Millettin | + | NAME Millettin |
− | CAS_RN 78338-36-0 | + | CAS_RN 78338-36-0 |
− | FORMULA C25H22O6 | + | FORMULA C25H22O6 |
− | EXACTMASS 418.141638436 | + | EXACTMASS 418.141638436 |
− | AVERAGEMASS 418.43858 | + | AVERAGEMASS 418.43858 |
− | SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)OC(C=C1)(C)C | + | SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)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/ 31 35 0 0 0 0 0 0 0 0999 V2000 -1.4382 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4382 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3256 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -1.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 -1.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 -0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1269 -2.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 -0.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -1.7316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 0.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 -0.1259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 -0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9945 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8606 0.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1269 -0.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 0.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3258 1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2291 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8807 2.1196 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 2 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 7 17 2 0 0 0 0 14 18 1 0 0 0 0 9 19 1 0 0 0 0 19 16 1 0 0 0 0 3 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 2 1 0 0 0 0 22 25 1 0 0 0 0 22 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIG1LNP0001 KNApSAcK_ID C00009532 NAME Millettin CAS_RN 78338-36-0 FORMULA C25H22O6 EXACTMASS 418.141638436 AVERAGEMASS 418.43858 SMILES c(c(CC=C(C)C)2)(c1c(c(C5=O)c2Oc(c53)oc(c4)c3ccc4O)O)OC(C=C1)(C)C M END