Mol:FLIAAFNP0001
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
− | -1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0347 -2.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0347 -2.5883 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 |
− | 8 11 1 0 0 0 0 | + | 8 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 |
− | 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 |
− | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
− | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
− | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
− | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
− | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 13 33 1 0 0 0 0 | + | 13 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 2 2 33 34 |
− | M SBL 2 1 36 | + | M SBL 2 1 36 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SVB 2 36 1.3202 -2.1758 | + | M SVB 2 36 1.3202 -2.1758 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
− | M SBL 1 1 34 | + | M SBL 1 1 34 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 34 2.5693 -1.8672 | + | M SVB 1 34 2.5693 -1.8672 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAAFNP0001 | + | ID FLIAAFNP0001 |
− | KNApSAcK_ID C00009530 | + | KNApSAcK_ID C00009530 |
− | NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone | + | NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone |
− | CAS_RN 78876-31-0 | + | CAS_RN 78876-31-0 |
− | FORMULA C27H32O7 | + | FORMULA C27H32O7 |
− | EXACTMASS 468.214803378 | + | EXACTMASS 468.214803378 |
− | AVERAGEMASS 468.53878 | + | AVERAGEMASS 468.53878 |
− | SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O | + | SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.6385 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5259 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 0.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1428 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -0.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1946 0.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -0.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 0.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2838 -0.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0822 0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 1.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 2.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5261 2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3324 -1.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3324 -1.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 -2.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0347 -2.5883 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 8 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 14 31 1 0 0 0 0 31 32 1 0 0 0 0 13 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SVB 2 36 1.3202 -2.1758 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 2.5693 -1.8672 S SKP 8 ID FLIAAFNP0001 KNApSAcK_ID C00009530 NAME 1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone CAS_RN 78876-31-0 FORMULA C27H32O7 EXACTMASS 468.214803378 AVERAGEMASS 468.53878 SMILES O=C(c13)C(c(c4)cc(c(c4)OC)OC)=COc1c(c(c2c3O)OC(CC2)(C)C)CCC(C)(C)O M END