Mol:FL5FGLNS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 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 |
− | -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 |
− | -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 |
− | -4.8842 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 |
− | -2.3518 -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 |
− | -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 |
− | -3.4402 -1.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4402 -1.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2063 -2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2063 -2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9185 -0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9185 -0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.8803 -0.1243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8803 -0.1243 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 |
− | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 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 |
− | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
− | M STY 1 5 SUP | + | M STY 1 5 SUP |
− | M SLB 1 5 5 | + | M SLB 1 5 5 |
− | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
− | M SBL 5 1 30 | + | M SBL 5 1 30 |
− | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
− | M SVB 5 30 -1.0494 0.8998 | + | M SVB 5 30 -1.0494 0.8998 |
− | M STY 1 4 SUP | + | M STY 1 4 SUP |
− | M SLB 1 4 4 | + | M SLB 1 4 4 |
− | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
− | M SBL 4 1 28 | + | M SBL 4 1 28 |
− | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
− | M SVB 4 28 -2.241 0.6243 | + | M SVB 4 28 -2.241 0.6243 |
− | M STY 1 3 SUP | + | M STY 1 3 SUP |
− | M SLB 1 3 3 | + | M SLB 1 3 3 |
− | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
− | M SBL 3 1 26 | + | M SBL 3 1 26 |
− | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
− | M SVB 3 26 0.5403 -0.843 | + | M SVB 3 26 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 22 23 | + | M SAL 2 2 22 23 |
− | M SBL 2 1 24 | + | M SBL 2 1 24 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 24 -2.5983 -0.5453 | + | M SVB 2 24 -2.5983 -0.5453 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
− | M SBL 1 1 22 | + | M SBL 1 1 22 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 22 0.5403 1.6001 | + | M SVB 1 22 0.5403 1.6001 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FGLNS0002 | + | ID FL5FGLNS0002 |
− | KNApSAcK_ID C00004782 | + | KNApSAcK_ID C00004782 |
− | NAME 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone | + | NAME 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone |
− | CAS_RN 70368-17-1 | + | CAS_RN 70368-17-1 |
− | FORMULA C20H20O9 | + | FORMULA C20H20O9 |
− | EXACTMASS 404.11073223799997 | + | EXACTMASS 404.11073223799997 |
− | AVERAGEMASS 404.3674 | + | AVERAGEMASS 404.3674 |
− | SMILES c(c1)(O)ccc(C(O3)=C(C(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC)c1OC | + | SMILES c(c1)(O)ccc(C(O3)=C(C(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC)c1OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 29 31 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 -4.9545 3.1232 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 -4.8842 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 -2.3518 -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 -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 -3.4402 -1.5237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 -2.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -0.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8803 -0.1243 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 15 18 1 0 0 0 0 3 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 6 28 1 0 0 0 0 28 29 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 28 29 M SBL 5 1 30 M SMT 5 OCH3 M SVB 5 30 -1.0494 0.8998 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 -2.241 0.6243 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 0.5403 -0.843 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.5983 -0.5453 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 0.5403 1.6001 S SKP 8 ID FL5FGLNS0002 KNApSAcK_ID C00004782 NAME 5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone CAS_RN 70368-17-1 FORMULA C20H20O9 EXACTMASS 404.11073223799997 AVERAGEMASS 404.3674 SMILES c(c1)(O)ccc(C(O3)=C(C(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC)c1OC M END