Mol:FL5FA9GL0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8898 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8898 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8898 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8898 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7772 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7772 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7772 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7772 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3335 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3335 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2209 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2209 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6646 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6646 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6646 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6646 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2209 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2209 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2209 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2209 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1085 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1085 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4585 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4585 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0255 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0255 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0255 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0255 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4585 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4585 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1085 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1085 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0660 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0660 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1115 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1115 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7238 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7238 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4693 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4693 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2192 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2192 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8615 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8615 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3915 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3915 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1684 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1684 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1663 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1663 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4459 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4459 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3335 -1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3335 -1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7314 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7314 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4459 -1.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4459 -1.4895 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
| − | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 33 | + | M SBL 1 1 33 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 33 -4.8072 7.5556 | + | M SBV 1 33 -4.8072 7.5556 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9GL0001 | + | ID FL5FA9GL0001 |
| − | KNApSAcK_ID C00005120 | + | KNApSAcK_ID C00005120 |
| − | NAME Galanginin | + | NAME Galanginin |
| − | CAS_RN 68592-14-3 | + | CAS_RN 68592-14-3 |
| − | FORMULA C21H20O10 | + | FORMULA C21H20O10 |
| − | EXACTMASS 432.10564686 | + | EXACTMASS 432.10564686 |
| − | AVERAGEMASS 432.37749999999994 | + | AVERAGEMASS 432.37749999999994 |
| − | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)C(C(O)1)OC(CO)C(O)C1O | + | SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)C(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-2.8898 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8898 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7772 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -0.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6646 0.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 0.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2209 -1.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1085 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0255 0.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0255 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4585 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1085 1.1622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0660 -0.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7238 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4693 -0.8907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 -0.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -0.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3915 -0.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1684 -0.1137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1663 -0.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4459 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3335 -1.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7314 -1.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4459 -1.4895 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
19 20 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
24 26 1 0 0 0 0
23 27 1 0 0 0 0
20 18 1 0 0 0 0
18 8 1 0 0 0 0
1 28 1 0 0 0 0
3 29 1 0 0 0 0
22 30 1 0 0 0 0
30 31 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 33
M SMT 1 CH2OH
M SBV 1 33 -4.8072 7.5556
S SKP 8
ID FL5FA9GL0001
KNApSAcK_ID C00005120
NAME Galanginin
CAS_RN 68592-14-3
FORMULA C21H20O10
EXACTMASS 432.10564686
AVERAGEMASS 432.37749999999994
SMILES O(C(C(=O)3)=C(Oc(c4)c3c(cc(O)4)O)c(c2)cccc2)C(C(O)1)OC(CO)C(O)C1O
M END
