Mol:FL2FALNR0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 51 56 0 0 0 0 0 0 0 0999 V2000 | + | 51 56 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.5220 -1.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5220 -1.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5782 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5782 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8968 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8968 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
− | 26 34 1 1 0 0 0 | + | 26 34 1 1 0 0 0 |
− | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
− | 35 40 1 0 0 0 0 | + | 35 40 1 0 0 0 0 |
− | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
− | 27 42 1 6 0 0 0 | + | 27 42 1 6 0 0 0 |
− | 42 43 2 0 0 0 0 | + | 42 43 2 0 0 0 0 |
− | 42 44 1 0 0 0 0 | + | 42 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
− | 46 47 2 0 0 0 0 | + | 46 47 2 0 0 0 0 |
− | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
− | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
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− | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
− | 47 51 1 0 0 0 0 | + | 47 51 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL2FALNR0002 | + | ID FL2FALNR0002 |
− | KNApSAcK_ID C00008383 | + | KNApSAcK_ID C00008383 |
− | NAME Sanggenon G | + | NAME Sanggenon G |
− | CAS_RN 85698-31-3 | + | CAS_RN 85698-31-3 |
− | FORMULA C40H38O11 | + | FORMULA C40H38O11 |
− | EXACTMASS 694.241412058 | + | EXACTMASS 694.241412058 |
− | AVERAGEMASS 694.7231200000001 | + | AVERAGEMASS 694.7231200000001 |
− | SMILES C(C2c(c(O)4)c(O)c(C(=O)5)c(OC(c(c6O)ccc(c6)O)C5)c4)=C(CCC=C(C)C)CC(C(C(c(c3O)ccc(c3)O)=O)2)c(c1O)ccc(c1)O | + | SMILES C(C2c(c(O)4)c(O)c(C(=O)5)c(OC(c(c6O)ccc(c6)O)C5)c4)=C(CCC=C(C)C)CC(C(C(c(c3O)ccc(c3)O)=O)2)c(c1O)ccc(c1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 51 56 0 0 0 0 0 0 0 0999 V2000 0.0162 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0162 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 1.8655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 0.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0997 1.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 0.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 1.5570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 1.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5689 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 0.0484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1012 0.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 0.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 0.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 0.6638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6944 0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 -1.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5182 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0729 -0.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0366 -2.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8483 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -1.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5782 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -1.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -0.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5785 -0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4892 -1.3041 0.0000 O 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 2 7 1 0 0 0 0 6 8 1 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 4 1 0 0 0 0 11 13 1 0 0 0 0 9 14 2 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 26 34 1 1 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 35 40 1 0 0 0 0 37 41 1 0 0 0 0 27 42 1 6 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 44 1 0 0 0 0 49 50 1 0 0 0 0 47 51 1 0 0 0 0 S SKP 8 ID FL2FALNR0002 KNApSAcK_ID C00008383 NAME Sanggenon G CAS_RN 85698-31-3 FORMULA C40H38O11 EXACTMASS 694.241412058 AVERAGEMASS 694.7231200000001 SMILES C(C2c(c(O)4)c(O)c(C(=O)5)c(OC(c(c6O)ccc(c6)O)C5)c4)=C(CCC=C(C)C)CC(C(C(c(c3O)ccc(c3)O)=O)2)c(c1O)ccc(c1)O M END