Mol:FL5FBCGA0001
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 |
| − | -2.7340 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7340 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7340 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7340 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6214 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6214 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6214 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6214 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1777 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1777 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0651 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0651 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5088 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5088 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5088 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5088 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0651 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0651 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0651 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0651 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0473 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0473 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6142 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6142 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1812 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1812 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1812 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1812 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6142 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6142 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0473 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0473 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2901 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2901 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6655 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6655 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0473 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0473 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6142 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6142 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1930 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1930 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8573 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8573 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5029 -1.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5029 -1.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1523 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1523 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4881 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4881 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8425 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8425 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5695 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5695 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1083 -0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1083 -0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4881 0.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4881 0.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5757 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5757 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2901 -1.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2901 -1.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6142 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6142 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8997 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8997 -1.7471 0.0000 C 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 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 20 1 0 0 0 0 | + | 23 20 1 0 0 0 0 |
| − | 25 31 1 0 0 0 0 | + | 25 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 3 33 1 0 0 0 0 | + | 3 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 34 -8.5766 5.7530 | + | M SBV 1 34 -8.5766 5.7530 |
| − | 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 SBV 2 36 -9.4363 5.5896 | + | M SBV 2 36 -9.4363 5.5896 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FBCGA0001 | + | ID FL5FBCGA0001 |
| − | KNApSAcK_ID C00005498 | + | KNApSAcK_ID C00005498 |
| − | NAME Azaleatin 3-galactoside | + | NAME Azaleatin 3-galactoside |
| − | CAS_RN 27193-60-8 | + | CAS_RN 27193-60-8 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O |
M END | M END | ||
| − | |||
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
-2.7340 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7340 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1777 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0651 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5088 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0651 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0651 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1812 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1812 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2901 0.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6655 1.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0473 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6142 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1930 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8573 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5029 -1.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1523 -1.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 -0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8425 -0.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5695 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1083 -0.4075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 0.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5757 -1.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2901 -1.6745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6142 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8997 -1.7471 0.0000 C 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
19 15 1 0 0 0 0
8 20 1 0 0 0 0
16 21 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 20 1 0 0 0 0
25 31 1 0 0 0 0
31 32 1 0 0 0 0
3 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 CH2OH
M SBV 1 34 -8.5766 5.7530
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 SBV 2 36 -9.4363 5.5896
S SKP 8
ID FL5FBCGA0001
KNApSAcK_ID C00005498
NAME Azaleatin 3-galactoside
CAS_RN 27193-60-8
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES c(c(C(O3)=C(C(=O)c(c(OC)4)c3cc(c4)O)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O
M END
