Mol:FLIA1LNI0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1830 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1830 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1830 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6267 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0704 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0704 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0704 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6267 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6267 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5141 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0422 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0422 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5141 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5983 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5983 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5983 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1931 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7879 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7879 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7879 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1931 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5141 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5141 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7393 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7393 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1931 1.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 1.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1931 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7861 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7861 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7861 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1931 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1931 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3791 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3791 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0786 -0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0786 -0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4271 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4271 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7879 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7879 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7879 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7879 0.2138 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 |
− | 8 11 1 0 0 0 0 | + | 8 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 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
− | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
− | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
− | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 2 0 0 0 0 | + | 21 22 2 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 |
− | 12 25 1 0 0 0 0 | + | 12 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 14 27 1 0 0 0 0 | + | 14 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
− | M SBL 2 1 29 | + | M SBL 2 1 29 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 29 2.0248 0.0076 | + | M SVB 2 29 2.0248 0.0076 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
− | M SBL 1 1 27 | + | M SBL 1 1 27 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 27 -0.1162 0.2832 | + | M SVB 1 27 -0.1162 0.2832 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIA1LNI0002 | + | ID FLIA1LNI0002 |
− | KNApSAcK_ID C00009443 | + | KNApSAcK_ID C00009443 |
− | NAME Licoricone | + | NAME Licoricone |
− | CAS_RN 51847-92-8 | + | CAS_RN 51847-92-8 |
− | FORMULA C22H22O6 | + | FORMULA C22H22O6 |
− | EXACTMASS 382.141638436 | + | EXACTMASS 382.141638436 |
− | AVERAGEMASS 382.40648000000004 | + | AVERAGEMASS 382.40648000000004 |
− | SMILES c(c13)c(O)ccc1C(C(=CO3)c(c(O)2)c(OC)c(c(c2)OC)CC=C(C)C)=O | + | SMILES c(c13)c(O)ccc1C(C(=CO3)c(c(O)2)c(OC)c(c(c2)OC)CC=C(C)C)=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/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.1830 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6267 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0422 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5983 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 1.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -0.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7879 0.2138 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 8 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 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 16 19 1 0 0 0 0 13 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 12 25 1 0 0 0 0 25 26 1 0 0 0 0 14 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 2.0248 0.0076 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -0.1162 0.2832 S SKP 8 ID FLIA1LNI0002 KNApSAcK_ID C00009443 NAME Licoricone CAS_RN 51847-92-8 FORMULA C22H22O6 EXACTMASS 382.141638436 AVERAGEMASS 382.40648000000004 SMILES c(c13)c(O)ccc1C(C(=CO3)c(c(O)2)c(OC)c(c(c2)OC)CC=C(C)C)=O M END