Mol:FL5FACGA0006
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
− | -2.8877 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8877 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8877 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8877 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3314 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3314 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7751 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7751 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7751 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7751 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3314 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3314 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2188 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2188 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6624 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6624 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6624 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6624 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2188 1.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2188 1.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2188 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2188 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1064 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1064 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4606 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4606 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0276 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0276 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0276 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0276 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4606 2.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4606 2.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1064 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1064 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.4438 1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4438 1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.2683 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2683 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.3314 -0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3314 -0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.6615 2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6615 2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1223 -1.0595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.1223 -1.0595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.4605 -0.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4605 -0.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.2756 -1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2756 -1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4605 -2.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.4605 -2.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 0.1223 -2.3576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1223 -2.3576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | -0.0626 -1.7105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0626 -1.7105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | -0.0451 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0451 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3989 -1.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3989 -1.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8400 -2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8400 -2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.1566 0.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.1566 0.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
− | 1.5990 -0.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.5990 -0.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.2361 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.2361 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.8508 -0.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.8508 -0.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
− | 2.4041 0.3599 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 2.4041 0.3599 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 1.8468 0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8468 0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9093 -0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9093 -0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6011 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6011 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8420 -0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8420 -0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4606 3.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4606 3.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6660 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6660 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.2493 -2.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2493 -2.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7087 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7087 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8671 1.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8671 1.4635 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 |
− | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
− | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
− | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
− | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
− | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
− | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
− | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
− | 34 35 1 0 0 0 0 | + | 34 35 1 0 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 |
− | 32 37 1 0 0 0 0 | + | 32 37 1 0 0 0 0 |
− | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
− | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
− | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
− | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
− | 25 41 1 0 0 0 0 | + | 25 41 1 0 0 0 0 |
− | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
− | 35 43 1 0 0 0 0 | + | 35 43 1 0 0 0 0 |
− | 43 44 1 0 0 0 0 | + | 43 44 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 43 44 | + | M SAL 2 2 43 44 |
− | M SBL 2 1 47 | + | M SBL 2 1 47 |
− | M SMT 2 CH2OH | + | M SMT 2 CH2OH |
− | M SVB 2 47 2.7293 0.3365 | + | M SVB 2 47 2.7293 0.3365 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 41 42 | + | M SAL 1 2 41 42 |
− | M SBL 1 1 45 | + | M SBL 1 1 45 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SVB 1 45 -0.666 -3.0471 | + | M SVB 1 45 -0.666 -3.0471 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FACGA0006 | + | ID FL5FACGA0006 |
− | KNApSAcK_ID C00005397 | + | KNApSAcK_ID C00005397 |
− | NAME Quercetin 3-glucosyl-(1->2)-galactoside | + | NAME Quercetin 3-glucosyl-(1->2)-galactoside |
− | CAS_RN 95043-15-5 | + | CAS_RN 95043-15-5 |
− | FORMULA C27H30O17 | + | FORMULA C27H30O17 |
− | EXACTMASS 626.148299534 | + | EXACTMASS 626.148299534 |
− | AVERAGEMASS 626.5169000000001 | + | AVERAGEMASS 626.5169000000001 |
− | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O | + | SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)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/ 44 48 0 0 0 0 0 0 0 0999 V2000 -2.8877 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8877 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7751 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 1.4107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 1.4107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2188 -0.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 1.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0276 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 2.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1064 2.0653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4438 1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 0.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3314 -0.5161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 2.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 -1.0595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4605 -0.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2756 -1.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4605 -2.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1223 -2.3576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0626 -1.7105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0451 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 -1.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -2.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1566 0.2427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5990 -0.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2361 -0.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8508 -0.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4041 0.3599 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8468 0.0657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9093 -0.3749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -0.7063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -0.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4606 3.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -3.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 -2.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7087 0.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8671 1.4635 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 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 15 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 19 1 0 0 0 0 31 32 1 1 0 0 0 32 33 1 1 0 0 0 34 33 1 1 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 28 31 1 0 0 0 0 34 39 1 0 0 0 0 16 40 1 0 0 0 0 25 41 1 0 0 0 0 41 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 43 44 M SBL 2 1 47 M SMT 2 CH2OH M SVB 2 47 2.7293 0.3365 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 41 42 M SBL 1 1 45 M SMT 1 CH2OH M SVB 1 45 -0.666 -3.0471 S SKP 8 ID FL5FACGA0006 KNApSAcK_ID C00005397 NAME Quercetin 3-glucosyl-(1->2)-galactoside CAS_RN 95043-15-5 FORMULA C27H30O17 EXACTMASS 626.148299534 AVERAGEMASS 626.5169000000001 SMILES c(c5O)c(c(c(c5)3)C(C(=C(c(c4)ccc(O)c4O)O3)O[C@@H](C1O[C@H]([C@@H]2O)OC([C@H]([C@H]2O)O)CO)O[C@H](CO)[C@@H](C(O)1)O)=O)O M END