Mol:FL5FECGS0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7576 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7576 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7576 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7576 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2013 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2013 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3550 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3550 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3550 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3550 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2013 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2013 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9113 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9113 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4676 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4676 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4676 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4676 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9113 0.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9113 0.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9113 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9113 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0237 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0237 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1576 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1576 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1576 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1576 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0237 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0237 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2013 -1.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2013 -1.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7915 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7915 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3137 -0.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3137 -0.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5906 1.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5906 1.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7895 -1.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.7895 -1.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.3770 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.3770 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5112 -1.3877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.5112 -1.3877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.8508 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.8508 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3490 -0.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3490 -0.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9770 -1.1757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.9770 -1.1757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.5356 -0.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5356 -0.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6673 -1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6673 -1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5618 -2.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5618 -2.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1149 0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1149 0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6150 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6150 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5633 -1.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5633 -1.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6559 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6559 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7712 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7712 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3982 0.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3982 0.1347 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 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 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 8 33 1 0 0 0 0 | + | 8 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 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 35 36 | + | M SAL 3 2 35 36 |
| − | M SBL 3 1 38 | + | M SBL 3 1 38 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 38 -2.7712 -0.6443 | + | M SVB 3 38 -2.7712 -0.6443 |
| − | 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 1.5633 -1.6504 | + | M SVB 2 36 1.5633 -1.6504 |
| − | 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 -1.1149 0.6402 | + | M SVB 1 34 -1.1149 0.6402 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECGS0015 | + | ID FL5FECGS0015 |
| − | KNApSAcK_ID C00005657 | + | KNApSAcK_ID C00005657 |
| − | NAME Tomentin 6-galactoside | + | NAME Tomentin 6-galactoside |
| − | CAS_RN 76057-15-3 | + | CAS_RN 76057-15-3 |
| − | FORMULA C23H24O13 | + | FORMULA C23H24O13 |
| − | EXACTMASS 508.121690854 | + | EXACTMASS 508.121690854 |
| − | AVERAGEMASS 508.42886 | + | AVERAGEMASS 508.42886 |
| − | SMILES O=C(C(OC)=3)c(c(O)1)c(OC3c(c4)ccc(c4O)O)cc(OC)c1O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O | + | SMILES O=C(C(OC)=3)c(c(O)1)c(OC3c(c4)ccc(c4O)O)cc(OC)c1O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)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/
36 39 0 0 0 0 0 0 0 0999 V2000
-0.7576 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3550 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9113 -0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4676 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4676 0.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9113 0.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9113 -1.4429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0237 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 0.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 0.3426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1576 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 1.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0237 0.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2013 -1.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7915 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3137 -0.9419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 1.9791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7895 -1.0304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.3770 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5112 -1.3877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.8508 -1.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3490 -0.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9770 -1.1757 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.5356 -0.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6673 -1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5618 -2.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1149 0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6150 1.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5633 -1.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6559 -2.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7712 -0.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3982 0.1347 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
3 18 1 0 0 0 0
19 15 1 0 0 0 0
2 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
20 25 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
8 33 1 0 0 0 0
33 34 1 0 0 0 0
27 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 35 36
M SBL 3 1 38
M SMT 3 CH2OH
M SVB 3 38 -2.7712 -0.6443
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 1.5633 -1.6504
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 -1.1149 0.6402
S SKP 8
ID FL5FECGS0015
KNApSAcK_ID C00005657
NAME Tomentin 6-galactoside
CAS_RN 76057-15-3
FORMULA C23H24O13
EXACTMASS 508.121690854
AVERAGEMASS 508.42886
SMILES O=C(C(OC)=3)c(c(O)1)c(OC3c(c4)ccc(c4O)O)cc(OC)c1O[C@H](O2)[C@@H](O)[C@H]([C@H](C(CO)2)O)O
M END
