Mol:FL5FELNS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8930 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8930 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2603 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2603 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0406 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0406 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4535 0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4535 0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0862 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0862 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3059 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3059 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2338 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2338 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6467 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6467 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2794 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2794 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4991 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4991 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7406 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7406 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6921 1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6921 1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4682 2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4682 2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8890 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8890 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5337 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5337 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7577 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7577 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3368 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3368 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1125 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1125 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4083 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4083 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9545 3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9545 3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6652 3.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6652 3.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3518 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3518 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8842 1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8842 1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.6503 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.6503 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3047 2.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3047 2.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 3.1178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 3.1178 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 0.5403 -0.843 | + | M SVB 3 28 0.5403 -0.843 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.5403 1.6001 | + | M SVB 2 26 0.5403 1.6001 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.5983 -0.5453 | + | M SVB 1 24 -2.5983 -0.5453 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FELNS0004 | + | ID FL5FELNS0004 |
| − | KNApSAcK_ID C00004807 | + | KNApSAcK_ID C00004807 |
| − | NAME 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone | + | NAME 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone |
| − | CAS_RN 113744-07-3 | + | CAS_RN 113744-07-3 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(OC)2)cc(O)c(O)c2)OC)=O | + | SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(OC)2)cc(O)c(O)c2)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.8930 -1.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2603 -0.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -0.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 0.1428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0862 0.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -0.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2338 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6467 1.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2794 1.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4991 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 1.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4682 2.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 2.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 2.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7577 2.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 1.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4083 -0.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 3.1232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 3.3506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -1.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8842 1.0459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6503 0.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3047 2.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9626 3.1178 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 3 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 17 24 1 0 0 0 0 24 25 1 0 0 0 0 8 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 0.5403 -0.843 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 0.5403 1.6001 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.5983 -0.5453 S SKP 8 ID FL5FELNS0004 KNApSAcK_ID C00004807 NAME 5,7,4',5'-Tetrahydroxy-3,6,2'-trimethoxyflavone CAS_RN 113744-07-3 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c(OC)2)cc(O)c(O)c2)OC)=O M END
