Mol:FLIF1LNP0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 30 35 0 0 0 0 0 0 0 0999 V2000 | + | 30 35 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2915 1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2915 1.0616 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 |
− | 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 |
− | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
− | 11 15 1 0 0 0 0 | + | 11 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 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 |
− | 21 17 1 0 0 0 0 | + | 21 17 1 0 0 0 0 |
− | 9 22 1 1 0 0 0 | + | 9 22 1 1 0 0 0 |
− | 8 23 1 1 0 0 0 | + | 8 23 1 1 0 0 0 |
− | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
− | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
− | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
− | 27 29 1 1 0 0 0 | + | 27 29 1 1 0 0 0 |
− | 27 30 1 6 0 0 0 | + | 27 30 1 6 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIF1LNP0002 | + | ID FLIF1LNP0002 |
− | KNApSAcK_ID C00002550 | + | KNApSAcK_ID C00002550 |
− | NAME Millettone | + | NAME Millettone |
− | CAS_RN 50376-38-0 | + | CAS_RN 50376-38-0 |
− | FORMULA C22H18O6 | + | FORMULA C22H18O6 |
− | EXACTMASS 378.110338308 | + | EXACTMASS 378.110338308 |
− | AVERAGEMASS 378.37472 | + | AVERAGEMASS 378.37472 |
− | SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H] | + | SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H] |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 30 35 0 0 0 0 0 0 0 0999 V2000 -1.3306 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -1.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 -0.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 -1.5989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1107 -1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3295 -1.1638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.6162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8649 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 1.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 0.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3295 1.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2915 1.0616 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 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 11 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 12 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 9 22 1 1 0 0 0 8 23 1 1 0 0 0 7 24 2 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 1 1 0 0 0 0 27 29 1 1 0 0 0 27 30 1 6 0 0 0 S SKP 8 ID FLIF1LNP0002 KNApSAcK_ID C00002550 NAME Millettone CAS_RN 50376-38-0 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES C(c64)(C3(COc4cc(O5)c(c6)OC5)[H])(C(=O)c(c2)c(O3)c(C=1)c(c2)OC(C1)(C)C)[H] M END