Mol:FL3FACGS0034
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8703 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8703 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8703 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8703 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4192 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4192 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9681 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9681 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.9681 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9681 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4192 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4192 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5171 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5171 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0660 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0660 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.0660 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0660 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5171 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5171 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.3455 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3455 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6151 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6151 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1554 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1554 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3043 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3043 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3043 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3043 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1554 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1554 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6151 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6151 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3898 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3898 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.4192 -2.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4192 -2.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8987 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8987 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1554 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1554 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9336 0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9336 0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3054 0.0731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.3054 0.0731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -3.5047 0.7706 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.5047 0.7706 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.3054 1.4723 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.3054 1.4723 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -3.9336 1.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.9336 1.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -3.7343 1.1376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.7343 1.1376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | -4.2170 2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2170 2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.9134 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9134 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.0428 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0428 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.9808 0.7665 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.9808 0.7665 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.5932 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5932 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.3386 0.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3386 0.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0886 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.0886 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 3.4763 0.7665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4763 0.7665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.7308 0.5535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.7308 0.5535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.2608 0.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2608 0.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0378 1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0378 1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.0357 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0357 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5034 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5034 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -5.2657 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.2657 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6008 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6008 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.3152 -0.2907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3152 -0.2907 0.0000 O 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 |
− | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
− | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
− | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
− | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 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 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
− | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
− | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
− | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
− | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 32 20 1 0 0 0 0 | + | 32 20 1 0 0 0 0 |
− | 27 40 1 0 0 0 0 | + | 27 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 34 42 1 0 0 0 0 | + | 34 42 1 0 0 0 0 |
− | 42 43 1 0 0 0 0 | + | 42 43 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 42 43 | + | M SAL 2 2 42 43 |
− | M SBL 2 1 46 | + | M SBL 2 1 46 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 46 3.6008 0.1218 | + | M SVB 2 46 3.6008 0.1218 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 44 -4.3152 1.7118 | + | M SVB 1 44 -4.3152 1.7118 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL3FACGS0034 | + | ID FL3FACGS0034 |
− | KNApSAcK_ID C00004294 | + | KNApSAcK_ID C00004294 |
− | NAME Luteolin 7,4'-diglucoside | + | NAME Luteolin 7,4'-diglucoside |
− | CAS_RN 70404-47-6 | + | CAS_RN 70404-47-6 |
− | FORMULA C27H30O16 | + | FORMULA C27H30O16 |
− | EXACTMASS 610.153384912 | + | EXACTMASS 610.153384912 |
− | AVERAGEMASS 610.5175 | + | AVERAGEMASS 610.5175 |
− | SMILES c(O)(c4)c(c(cc(O[C@H](C(O)5)O[C@@H](CO)[C@@H](O)C5O)4)1)C(=O)C=C(c(c2)cc(O)c(O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)c2)O1 | + | SMILES c(O)(c4)c(c(cc(O[C@H](C(O)5)O[C@@H](CO)[C@@H](O)C5O)4)1)C(=O)C=C(c(c2)cc(O)c(O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)c2)O1 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.8703 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8703 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9681 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 -0.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -1.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 -0.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 -2.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 -0.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 0.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3898 -0.6350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4192 -2.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8987 0.1994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1554 0.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9336 0.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3054 0.0731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5047 0.7706 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3054 1.4723 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9336 1.8351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7343 1.1376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2170 2.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 0.7665 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5932 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3386 0.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 0.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4763 0.7665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7308 0.5535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2608 0.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0378 1.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 0.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5034 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2657 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6008 0.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3152 -0.2907 0.0000 O 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 18 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 18 23 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 32 20 1 0 0 0 0 27 40 1 0 0 0 0 40 41 1 0 0 0 0 34 42 1 0 0 0 0 42 43 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 42 43 M SBL 2 1 46 M SMT 2 CH2OH M SVB 2 46 3.6008 0.1218 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 CH2OH M SVB 1 44 -4.3152 1.7118 S SKP 8 ID FL3FACGS0034 KNApSAcK_ID C00004294 NAME Luteolin 7,4'-diglucoside CAS_RN 70404-47-6 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(O)(c4)c(c(cc(O[C@H](C(O)5)O[C@@H](CO)[C@@H](O)C5O)4)1)C(=O)C=C(c(c2)cc(O)c(O[C@H](O3)C(C([C@@H](O)[C@@H](CO)3)O)O)c2)O1 M END