Mol:FLIAECNS0012
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
− | -2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0797 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7564 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7564 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5892 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5892 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
− | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
− | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
− | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 7 21 2 0 0 0 0 | + | 7 21 2 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 |
− | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 2 2 24 25 |
− | M SBL 2 1 27 | + | M SBL 2 1 27 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 27 2.0623 -0.8826 | + | M SVB 2 27 2.0623 -0.8826 |
− | 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 25 | + | M SBL 1 1 25 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 25 2.4196 0.3535 | + | M SVB 1 25 2.4196 0.3535 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAECNS0012 | + | ID FLIAECNS0012 |
− | KNApSAcK_ID C00009861 | + | KNApSAcK_ID C00009861 |
− | NAME Squarrosin;5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone | + | NAME Squarrosin;5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone |
− | CAS_RN 126419-15-6 | + | CAS_RN 126419-15-6 |
− | FORMULA C18H14O7 | + | FORMULA C18H14O7 |
− | EXACTMASS 342.073952802 | + | EXACTMASS 342.073952802 |
− | AVERAGEMASS 342.29956000000004 | + | AVERAGEMASS 342.29956000000004 |
− | SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(OC)c(OC)c2)C1=O | + | SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(OC)c(OC)c2)C1=O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.1455 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 1.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 -1.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8253 0.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2306 0.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7564 1.1724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 0.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7564 0.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5892 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4766 -0.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4196 0.3535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -1.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5573 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 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 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 11 2 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 3 20 1 0 0 0 0 7 21 2 0 0 0 0 15 22 1 0 0 0 0 22 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 2.0623 -0.8826 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 2.4196 0.3535 S SKP 8 ID FLIAECNS0012 KNApSAcK_ID C00009861 NAME Squarrosin;5-Hydroxy-3',4'-dimethoxy-6,7-methylenedioxyisoflavone CAS_RN 126419-15-6 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c34)c(c1c(c3OCO4)O)OC=C(c(c2)cc(OC)c(OC)c2)C1=O M END