Mol:FL2F9CNS0001
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 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1137 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1137 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6435 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6435 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2257 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2257 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7519 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7519 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6959 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6959 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2817 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2817 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8638 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8638 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3901 0.1741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -4.3901 0.1741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.3340 -0.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3340 -0.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9720 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9720 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0290 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0290 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6224 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6224 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1587 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1587 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.1016 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.1016 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.5083 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.5083 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8362 0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8362 0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.7322 1.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7322 1.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -7.3058 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.3058 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3684 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3684 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -6.7362 0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -6.7362 0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -7.7244 0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -7.7244 0.0954 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 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 24 | + | M SBL 3 1 24 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 24 1.3907 1.6933 | + | M SVB 3 24 1.3907 1.6933 |
| − | 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 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -2.9555 -0.7369 | + | M SVB 2 22 -2.9555 -0.7369 |
| − | 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 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 2.241 1.1171 | + | M SVB 1 20 2.241 1.1171 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F9CNS0001 | + | ID FL2F9CNS0001 |
| − | KNApSAcK_ID C00008275 | + | KNApSAcK_ID C00008275 |
| − | NAME 6,3',4'-Trimethoxyflavanone | + | NAME 6,3',4'-Trimethoxyflavanone |
| − | CAS_RN 77822-21-0 | + | CAS_RN 77822-21-0 |
| − | FORMULA C18H18O5 | + | FORMULA C18H18O5 |
| − | EXACTMASS 314.115423686 | + | EXACTMASS 314.115423686 |
| − | AVERAGEMASS 314.33252 | + | AVERAGEMASS 314.33252 |
| − | SMILES C(c12)(=O)CC(c(c3)cc(OC)c(OC)c3)Oc1ccc(OC)c2 | + | SMILES C(c12)(=O)CC(c(c3)cc(OC)c(OC)c3)Oc1ccc(OC)c2 |
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 25 0 0 0 0 0 0 0 0999 V2000 -3.1137 -1.6487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5875 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 -0.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2257 -0.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7519 -0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6959 -1.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2817 0.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8638 0.5426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3901 0.1741 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3340 -0.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6224 1.3744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1587 0.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1016 0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5083 0.0700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 0.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 1.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3058 2.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3684 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7362 0.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7244 0.0954 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 15 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 24 M SMT 3 OCH3 M SVB 3 24 1.3907 1.6933 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 -2.9555 -0.7369 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 2.241 1.1171 S SKP 8 ID FL2F9CNS0001 KNApSAcK_ID C00008275 NAME 6,3',4'-Trimethoxyflavanone CAS_RN 77822-21-0 FORMULA C18H18O5 EXACTMASS 314.115423686 AVERAGEMASS 314.33252 SMILES C(c12)(=O)CC(c(c3)cc(OC)c(OC)c3)Oc1ccc(OC)c2 M END
