Mol:FL5FAGGS0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
− | -3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9136 -2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9136 -2.6564 0.0000 O 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 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 27 26 1 1 0 0 0 | + | 27 26 1 1 0 0 0 |
− | 27 23 1 0 0 0 0 | + | 27 23 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 27 31 1 0 0 0 0 | + | 27 31 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 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 35 | + | M SBL 1 1 35 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 35 0.0000 0.7008 | + | M SBV 1 35 0.0000 0.7008 |
− | S SKP 5 | + | S SKP 5 |
− | ID FL5FAGGS0001 | + | ID FL5FAGGS0001 |
− | FORMULA C20H18O12 | + | FORMULA C20H18O12 |
− | EXACTMASS 450.07982604 | + | EXACTMASS 450.07982604 |
− | AVERAGEMASS 450.34972 | + | AVERAGEMASS 450.34972 |
− | SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O | + | SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -3.1994 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 0.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 -0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3415 0.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 0.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -1.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 0.1341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 0.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8289 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 1.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 1.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9136 0.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4849 -1.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3727 -1.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1009 2.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -1.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 -1.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -2.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -1.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 -1.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5569 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8773 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 -2.6564 0.0000 O 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 3 19 1 0 0 0 0 8 20 1 0 0 0 0 16 21 1 0 0 0 0 15 22 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 23 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 25 20 1 0 0 0 0 14 30 1 0 0 0 0 31 32 1 0 0 0 0 27 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 35 M SMT 1 CH2OH M SBV 1 35 0.0000 0.7008 S SKP 5 ID FL5FAGGS0001 FORMULA C20H18O12 EXACTMASS 450.07982604 AVERAGEMASS 450.34972 SMILES O(C(=C3c(c4)cc(O)c(O)c(O)4)C(=O)c(c(O3)2)c(cc(O)c2)O)C(C(O)1)OC(CO)C1O M END