Mol:FL1CE9NS0005
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
− | -2.0511 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0511 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0511 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4948 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9385 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9385 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9385 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.4948 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4948 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3822 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1741 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1741 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7302 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7302 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2863 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8473 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4083 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4083 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4083 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8473 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8473 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2863 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2863 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3822 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3822 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0725 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0725 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2167 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2167 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.7801 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7801 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4083 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4083 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9083 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9083 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9312 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9312 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2167 -1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2167 -1.2154 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 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 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 5 17 1 0 0 0 0 | + | 5 17 1 0 0 0 0 |
− | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 22 23 | + | M SAL 3 2 22 23 |
− | M SBL 3 1 23 | + | M SBL 3 1 23 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 23 -1.9312 -0.8029 | + | M SVB 3 23 -1.9312 -0.8029 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
− | M SBL 2 1 21 | + | M SBL 2 1 21 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 21 -2.4083 0.9399 | + | M SVB 2 21 -2.4083 0.9399 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
− | M SBL 1 1 19 | + | M SBL 1 1 19 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 19 -1.2167 1.2154 | + | M SVB 1 19 -1.2167 1.2154 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1CE9NS0005 | + | ID FL1CE9NS0005 |
− | KNApSAcK_ID C00006963 | + | KNApSAcK_ID C00006963 |
− | NAME 2'-Hydroxy-3',4',6'-trimethoxychalcone | + | NAME 2'-Hydroxy-3',4',6'-trimethoxychalcone |
− | CAS_RN 6971-20-6 | + | CAS_RN 6971-20-6 |
− | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
− | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
− | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
− | SMILES c(c2OC)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC | + | SMILES c(c2OC)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 23 24 0 0 0 0 0 0 0 0999 V2000 -2.0511 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9385 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4948 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1741 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7302 -0.6422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4083 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 0.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 0.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3822 -1.1437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 0.8212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 1.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7801 2.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 0.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9312 -0.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -1.2154 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 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 2 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 18 19 1 0 0 0 0 1 20 1 0 0 0 0 20 21 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 23 M SMT 3 OCH3 M SVB 3 23 -1.9312 -0.8029 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 21 M SMT 2 OCH3 M SVB 2 21 -2.4083 0.9399 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 19 M SMT 1 OCH3 M SVB 1 19 -1.2167 1.2154 S SKP 8 ID FL1CE9NS0005 KNApSAcK_ID C00006963 NAME 2'-Hydroxy-3',4',6'-trimethoxychalcone CAS_RN 6971-20-6 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES c(c2OC)(OC)cc(c(c2O)C(=O)C=Cc(c1)cccc1)OC M END