Mol:FL6FCBGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3359 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8179 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8179 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2999 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2999 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2999 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2999 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8179 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8179 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2181 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2181 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7361 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7361 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7361 0.5196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7361 0.5196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2181 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2181 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2541 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2541 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7764 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7764 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2987 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2987 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2987 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2987 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7764 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7764 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2541 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2541 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0209 -0.9271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.0209 -0.9271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.6497 -1.4171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6497 -1.4171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1152 -1.2092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1152 -1.2092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.5994 -1.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.5994 -1.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9742 -0.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9742 -0.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4418 -1.0756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.4418 -1.0756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.6118 -0.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6118 -0.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0001 -1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0001 -1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8089 -1.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8089 -1.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8203 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8203 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4750 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4750 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2227 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2227 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6931 1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6931 1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1930 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1930 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8202 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8202 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5347 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5347 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 18 19 1 1 0 0 0 | + | 18 19 1 1 0 0 0 |
| − | 20 19 1 1 0 0 0 | + | 20 19 1 1 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 3 1 0 0 0 0 | + | 26 3 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 1 29 1 0 0 0 0 | + | 1 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 27 28 | + | M SAL 3 2 27 28 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 30 -2.5458 -0.6771 | + | M SVB 3 30 -2.5458 -0.6771 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 31 32 | + | M SAL 2 2 31 32 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 34 2.8202 1.7229 | + | M SVB 2 34 2.8202 1.7229 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 -1.6931 1.1384 | + | M SVB 1 32 -1.6931 1.1384 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FCBGS0001 | + | ID FL6FCBGS0001 |
| − | KNApSAcK_ID C00008772 | + | KNApSAcK_ID C00008772 |
| − | NAME Dichotosin | + | NAME Dichotosin |
| − | CAS_RN 97399-72-9 | + | CAS_RN 97399-72-9 |
| − | FORMULA C23H28O9 | + | FORMULA C23H28O9 |
| − | EXACTMASS 448.17333249399996 | + | EXACTMASS 448.17333249399996 |
| − | AVERAGEMASS 448.46302000000003 | + | AVERAGEMASS 448.46302000000003 |
| − | SMILES O(C)c(c2)cc(c(C3)c(O[C@H](c(c4)ccc(c4)OC)C3)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O | + | SMILES O(C)c(c2)cc(c(C3)c(O[C@H](c(c4)ccc(c4)OC)C3)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.3359 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 0.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8179 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2181 -0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 -0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7361 0.5196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2181 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2987 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7764 1.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2541 1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0209 -0.9271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6497 -1.4171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1152 -1.2092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5994 -1.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9742 -0.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4418 -1.0756 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.6118 -0.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0001 -1.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8089 -1.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 -0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4750 -0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2227 -0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6931 1.1384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1930 2.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8202 1.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5347 1.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
17 23 1 0 0 0 0
18 24 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
26 3 1 0 0 0 0
22 27 1 0 0 0 0
27 28 1 0 0 0 0
1 29 1 0 0 0 0
29 30 1 0 0 0 0
14 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 27 28
M SBL 3 1 30
M SMT 3 CH2OH
M SVB 3 30 -2.5458 -0.6771
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 31 32
M SBL 2 1 34
M SMT 2 OCH3
M SVB 2 34 2.8202 1.7229
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 -1.6931 1.1384
S SKP 8
ID FL6FCBGS0001
KNApSAcK_ID C00008772
NAME Dichotosin
CAS_RN 97399-72-9
FORMULA C23H28O9
EXACTMASS 448.17333249399996
AVERAGEMASS 448.46302000000003
SMILES O(C)c(c2)cc(c(C3)c(O[C@H](c(c4)ccc(c4)OC)C3)2)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O
M END
