Mol:FLIEBANP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 27 31 0 0 0 0 0 0 0 0999 V2000 | + | 27 31 0 0 0 0 0 0 0 0999 V2000 |
− | -1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5919 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5919 -0.9323 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
− | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
− | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
− | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
− | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
− | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
− | 17 9 1 0 0 0 0 | + | 17 9 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
− | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
− | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
− | M SBL 1 1 30 | + | M SBL 1 1 30 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SBV 1 30 -8.3967 2.9807 | + | M SBV 1 30 -8.3967 2.9807 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIEBANP0001 | + | ID FLIEBANP0001 |
− | KNApSAcK_ID C00010062 | + | KNApSAcK_ID C00010062 |
− | NAME Gancaonin F | + | NAME Gancaonin F |
− | CAS_RN 126716-33-4 | + | CAS_RN 126716-33-4 |
− | FORMULA C21H16O6 | + | FORMULA C21H16O6 |
− | EXACTMASS 364.094688244 | + | EXACTMASS 364.094688244 |
− | AVERAGEMASS 364.34814 | + | AVERAGEMASS 364.34814 |
− | SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)c1)=O | + | SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)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/ 27 31 0 0 0 0 0 0 0 0999 V2000 -1.4263 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4263 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 -0.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 -0.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 0.9255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3550 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 -1.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2443 -1.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 0.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 0.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1388 -1.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 -0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5373 1.3893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1388 0.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 -0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 -0.9323 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 2 0 0 0 0 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 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 10 1 0 0 0 0 7 16 1 0 0 0 0 11 16 1 0 0 0 0 8 17 1 0 0 0 0 17 9 1 0 0 0 0 17 18 2 0 0 0 0 13 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 2 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 21 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 30 M SMT 1 OCH3 M SBV 1 30 -8.3967 2.9807 S SKP 8 ID FLIEBANP0001 KNApSAcK_ID C00010062 NAME Gancaonin F CAS_RN 126716-33-4 FORMULA C21H16O6 EXACTMASS 364.094688244 AVERAGEMASS 364.34814 SMILES c(c4)(c(c(OC)c(C=5)c4OC(C5)(C)C)3)OC(c(c23)c(c1)c(o2)cc(O)c1)=O M END