Mol:FLIAEAGS0010
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 |
− | -3.4451 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4451 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8888 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3327 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3327 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3327 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3327 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7559 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7559 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1792 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1792 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1792 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7559 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7559 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4449 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4449 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8888 -0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7559 -0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7559 -0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6029 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6029 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6029 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6029 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0515 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0515 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4998 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4998 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4998 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4998 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0515 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0515 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8691 -1.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8691 -1.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8888 -0.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8888 -0.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2323 -0.6173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.2323 -0.6173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.9314 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.9314 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.5099 -0.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5099 -0.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0919 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.0919 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.3928 -0.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.3928 -0.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8143 -0.7825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.8143 -0.7825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.6736 -0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6736 -0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8558 -0.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8558 -0.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.3928 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3928 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.1325 0.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1325 0.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.9543 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9543 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2915 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2915 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2915 -2.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2915 -2.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8023 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8023 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.3022 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3022 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
− | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
− | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
− | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
− | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
− | 6 12 1 0 0 0 0 | + | 6 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 |
− | 18 15 1 0 0 0 0 | + | 18 15 1 0 0 0 0 |
− | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
− | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
− | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
− | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
− | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
− | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
− | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
− | 9 29 1 0 0 0 0 | + | 9 29 1 0 0 0 0 |
− | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 3 2 31 32 |
− | M SBL 3 1 34 | + | M SBL 3 1 34 |
− | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
− | M SVB 3 34 3.4449 -1.1116 | + | M SVB 3 34 3.4449 -1.1116 |
− | 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 -3.8023 1.5241 | + | M SVB 2 36 -3.8023 1.5241 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
− | M SBL 1 1 32 | + | M SBL 1 1 32 |
− | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
− | M SVB 1 32 -4.1593 0.3554 | + | M SVB 1 32 -4.1593 0.3554 |
− | S SKP 8 | + | S SKP 8 |
− | ID FLIAEAGS0010 | + | ID FLIAEAGS0010 |
− | KNApSAcK_ID C00010171 | + | KNApSAcK_ID C00010171 |
− | NAME 7-O-Methyltectorigenin 4'-O-galactoside | + | NAME 7-O-Methyltectorigenin 4'-O-galactoside |
− | CAS_RN 116988-14-8 | + | CAS_RN 116988-14-8 |
− | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
− | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
− | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
− | SMILES c(c3O[C@@H](C(O)4)O[C@H](CO)[C@H](O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O | + | SMILES c(c3O[C@@H](C(O)4)O[C@H](CO)[C@H](O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)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 -3.4451 0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 1.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3327 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1792 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 0.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 -0.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7559 -0.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6029 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -1.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -0.7299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4998 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 0.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8691 -1.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 -0.7299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -0.6173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9314 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5099 -0.9729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 -1.1383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3928 -0.6173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8143 -0.7825 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6736 -0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 -0.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3928 0.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1325 0.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9543 0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -1.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2915 -2.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 2.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 3 1 0 0 0 0 1 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 2 0 0 0 0 6 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 18 15 1 0 0 0 0 10 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 21 18 1 0 0 0 0 9 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 34 M SMT 3 CH2OH M SVB 3 34 3.4449 -1.1116 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 -3.8023 1.5241 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 OCH3 M SVB 1 32 -4.1593 0.3554 S SKP 8 ID FLIAEAGS0010 KNApSAcK_ID C00010171 NAME 7-O-Methyltectorigenin 4'-O-galactoside CAS_RN 116988-14-8 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES c(c3O[C@@H](C(O)4)O[C@H](CO)[C@H](O)C4O)cc(cc3)C(C1=O)=COc(c2)c1c(c(OC)c2OC)O M END