Mol:FL3FADNI0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
− | 0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2530 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2530 2.6669 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 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 |
− | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
− | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 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 |
− | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
− | 29 27 2 0 0 0 0 | + | 29 27 2 0 0 0 0 |
− | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
− | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 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 33 | + | M SBL 1 1 33 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 33 3.8116 1.7696 | + | M SVB 1 33 3.8116 1.7696 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FADNI0001 | + | ID FL3FADNI0001 |
− | KNApSAcK_ID C00004035 | + | KNApSAcK_ID C00004035 |
− | NAME Cannflavin A | + | NAME Cannflavin A |
− | CAS_RN 76735-57-4 | + | CAS_RN 76735-57-4 |
− | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
− | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
− | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
− | SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O | + | SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 34 0 0 0 0 0 0 0 0999 V2000 0.1799 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -1.0732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -0.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4052 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 -1.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 -0.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0952 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5282 1.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 0.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3762 0.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0952 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6087 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 -1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9476 -1.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 -1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8437 -1.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 -1.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8116 1.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 2.6669 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 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 19 15 1 0 0 0 0 2 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 20 29 1 0 0 0 0 29 27 2 0 0 0 0 3 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 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 33 M SMT 1 OCH3 M SVB 1 33 3.8116 1.7696 S SKP 8 ID FL3FADNI0001 KNApSAcK_ID C00004035 NAME Cannflavin A CAS_RN 76735-57-4 FORMULA C26H28O6 EXACTMASS 436.188588628 AVERAGEMASS 436.49692 SMILES O(c23)C(=CC(c(c(O)c(c(O)c3)CC=C(CCC=C(C)C)C)2)=O)c(c1)cc(OC)c(c1)O M END