Mol:FL1C3CGS0013
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
− | -1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.2543 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2543 0.6886 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 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
− | 6 1 1 0 0 0 0 | + | 6 1 1 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
− | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
− | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
− | 12 20 1 0 0 0 0 | + | 12 20 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
− | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
− | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 30 31 | + | M SAL 1 2 30 31 |
− | M SBL 1 1 32 | + | M SBL 1 1 32 |
− | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
− | M SBV 1 32 -9.2507 5.4364 | + | M SBV 1 32 -9.2507 5.4364 |
− | M STY 1 2 SUP | + | M STY 1 2 SUP |
− | M SLB 1 2 2 | + | M SLB 1 2 2 |
− | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
− | M SBL 2 1 34 | + | M SBL 2 1 34 |
− | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
− | M SBV 2 34 -8.6654 5.3487 | + | M SBV 2 34 -8.6654 5.3487 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL1C3CGS0013 | + | ID FL1C3CGS0013 |
− | KNApSAcK_ID C00007904 | + | KNApSAcK_ID C00007904 |
− | NAME Okanin 4-methyl ether 3'-glucoside | + | NAME Okanin 4-methyl ether 3'-glucoside |
− | CAS_RN 119227-96-2 | + | CAS_RN 119227-96-2 |
− | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
− | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
− | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
− | SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O | + | SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)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/ 33 35 0 0 0 0 0 0 0 0999 V2000 -1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2543 0.6886 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 2 0 0 0 0 6 1 1 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 11 2 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 10 1 0 0 0 0 7 16 2 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 19 2 1 0 0 0 0 12 20 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 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 19 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 32 M SMT 1 ^CH2OH M SBV 1 32 -9.2507 5.4364 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 32 33 M SBL 2 1 34 M SMT 2 OCH3 M SBV 2 34 -8.6654 5.3487 S SKP 8 ID FL1C3CGS0013 KNApSAcK_ID C00007904 NAME Okanin 4-methyl ether 3'-glucoside CAS_RN 119227-96-2 FORMULA C22H24O11 EXACTMASS 464.13186161 AVERAGEMASS 464.41936000000004 SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O M END