Mol:FLIJ1ANS0001
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 20 21 0 0 0 0 0 0 0 0999 V2000 | + | 20 21 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0421 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0421 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0421 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5142 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5142 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 |
− | 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 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
− | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
− | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
− | 15 10 2 0 0 0 0 | + | 15 10 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
− | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
− | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
− | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
− | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
− | M SBL 1 1 20 | + | M SBL 1 1 20 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 20 2.0247 -0.8826 | + | M SVB 1 20 2.0247 -0.8826 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIJ1ANS0001 | + | ID FLIJ1ANS0001 |
− | KNApSAcK_ID C00009794 | + | KNApSAcK_ID C00009794 |
− | NAME Angolensin | + | NAME Angolensin |
− | CAS_RN 4842-48-2 | + | CAS_RN 4842-48-2 |
− | FORMULA C16H16O4 | + | FORMULA C16H16O4 |
− | EXACTMASS 272.104859 | + | EXACTMASS 272.104859 |
− | AVERAGEMASS 272.29584 | + | AVERAGEMASS 272.29584 |
− | SMILES COc(c2)ccc(c2)C(C)C(=O)c(c1)c(O)cc(O)c1 | + | SMILES COc(c2)ccc(c2)C(C)C(=O)c(c1)c(O)cc(O)c1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 20 21 0 0 0 0 0 0 0 0999 V2000 -2.1831 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.3315 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5142 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.7883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 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 9 5 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 10 2 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 8 17 1 0 0 0 0 7 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.0247 -0.8826 S SKP 8 ID FLIJ1ANS0001 KNApSAcK_ID C00009794 NAME Angolensin CAS_RN 4842-48-2 FORMULA C16H16O4 EXACTMASS 272.104859 AVERAGEMASS 272.29584 SMILES COc(c2)ccc(c2)C(C)C(=O)c(c1)c(O)cc(O)c1 M END