Mol:FL3FRNND0003
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 42 47 0 0 0 0 0 0 0 0999 V2000 | + | 42 47 0 0 0 0 0 0 0 0999 V2000 |
− | -0.1508 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1508 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1508 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1508 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8652 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8652 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5637 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2782 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2782 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5637 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5637 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5637 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5797 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5797 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5797 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5797 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8652 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9927 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9927 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7071 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7071 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7071 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7071 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9927 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9927 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4216 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4216 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4216 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4216 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7071 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7071 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9927 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9927 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9917 -0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9917 -0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9942 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9942 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.9942 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9942 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.8189 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8189 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2782 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2782 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0130 1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0130 1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2942 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2942 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0086 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0086 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0086 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0086 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2942 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2942 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3944 0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3944 0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5332 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5332 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8652 0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8652 0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5777 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5777 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5777 1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5777 1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9305 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9305 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2347 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2347 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8788 1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8788 1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.6025 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6025 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2704 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2704 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8189 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8189 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2704 1.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2704 1.2353 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 11 2 0 0 0 0 | + | 3 11 2 0 0 0 0 |
− | 10 4 2 0 0 0 0 | + | 10 4 2 0 0 0 0 |
− | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
− | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
− | 5 9 2 0 0 0 0 | + | 5 9 2 0 0 0 0 |
− | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
− | 4 12 1 0 0 0 0 | + | 4 12 1 0 0 0 0 |
− | 6 13 1 0 0 0 0 | + | 6 13 1 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 7 1 0 0 0 0 | + | 16 7 1 0 0 0 0 |
− | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
− | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
− | 20 16 1 0 0 0 0 | + | 20 16 1 0 0 0 0 |
− | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
− | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
− | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
− | 22 21 1 0 0 0 0 | + | 22 21 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
− | 18 26 1 0 0 0 0 | + | 18 26 1 0 0 0 0 |
− | 11 27 1 0 0 0 0 | + | 11 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 30 10 1 0 0 0 0 | + | 30 10 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
− | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 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 |
− | 35 37 1 0 0 0 0 | + | 35 37 1 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 40 42 1 0 0 0 0 | + | 40 42 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FRNND0003 | + | ID FL3FRNND0003 |
− | KNApSAcK_ID C00013487 | + | KNApSAcK_ID C00013487 |
− | NAME Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one | + | NAME Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one |
− | CAS_RN 223386-73-0 | + | CAS_RN 223386-73-0 |
− | FORMULA C35H38O7 | + | FORMULA C35H38O7 |
− | EXACTMASS 570.26175357 | + | EXACTMASS 570.26175357 |
− | AVERAGEMASS 570.67202 | + | AVERAGEMASS 570.67202 |
− | SMILES C(C)(=CCc(c56)c(c(c(c(C=CC(C)(C)O6)5)O)4)OC(=C(C4=O)3)c(c21)c(O)cc(O)c1OC(C2C3)(C)C)CCC=C(C)C | + | SMILES C(C)(=CCc(c56)c(c(c(c(C=CC(C)(C)O6)5)O)4)OC(=C(C4=O)3)c(c21)c(O)cc(O)c1OC(C2C3)(C)C)CCC=C(C)C |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 42 47 0 0 0 0 0 0 0 0999 V2000 -0.1508 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5637 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5797 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5797 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 -2.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 1.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -0.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -1.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8189 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 1.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 1.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 0.1532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0086 -1.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 -1.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 -0.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 0.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 1.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5777 1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9305 2.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 2.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 1.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 2.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 1.9362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8189 2.2528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2704 1.2353 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 11 2 0 0 0 0 10 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 5 9 2 0 0 0 0 11 10 1 0 0 0 0 4 12 1 0 0 0 0 6 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 7 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 20 25 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 18 26 1 0 0 0 0 11 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 10 1 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 3 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 S SKP 8 ID FL3FRNND0003 KNApSAcK_ID C00013487 NAME Artoindonesianin A;13-[(2E)-3,7-Dimethyl-2,6-octadienyl]-5a,6-dihydro-1,3,8-trihydroxy-5,5,11,11-tetramethyl-5H,7H,11H-benzofuro[3,4-bc]pyrano[2,3-i]xanthen-7-one CAS_RN 223386-73-0 FORMULA C35H38O7 EXACTMASS 570.26175357 AVERAGEMASS 570.67202 SMILES C(C)(=CCc(c56)c(c(c(c(C=CC(C)(C)O6)5)O)4)OC(=C(C4=O)3)c(c21)c(O)cc(O)c1OC(C2C3)(C)C)CCC=C(C)C M END