Mol:FLIBBCNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2871 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2871 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2871 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2871 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7308 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7308 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1745 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1745 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1745 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1745 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7308 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7308 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6181 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6181 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0618 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0618 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0618 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0618 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6181 1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6181 1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4942 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4942 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4942 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4942 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0890 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0890 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6838 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6838 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6838 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6838 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0890 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0890 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8432 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8432 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6181 -0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6181 -0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 -0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 -0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0890 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0890 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6832 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6832 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2780 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2780 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8432 -0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8432 -0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1672 0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1672 0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4527 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4527 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 29 -5.8750 5.3198 | + | M SBV 1 29 -5.8750 5.3198 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBBCNP0001 | + | ID FLIBBCNP0001 |
| − | KNApSAcK_ID C00009964 | + | KNApSAcK_ID C00009964 |
| − | NAME Glycyrrhisoflavanone | + | NAME Glycyrrhisoflavanone |
| − | CAS_RN 116709-69-4 | + | CAS_RN 116709-69-4 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c4)c(c(cc(O)4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)CO1)=O | + | SMILES COc(c4)c(c(cc(O)4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)CO1)=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/
27 30 0 0 0 0 0 0 0 0999 V2000
-2.2871 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1745 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1745 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7308 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 0.5362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0618 1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 1.8209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4942 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -0.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 -0.1505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6838 0.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 0.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8432 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 -0.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0890 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6832 -1.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 0.8794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -1.1807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2780 -1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8432 -0.8544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1672 0.3757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4527 -0.0368 0.0000 C 0 0 0 0 0 0 0 0 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
15 22 1 0 0 0 0
21 23 1 0 0 0 0
23 19 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 29
M SMT 1 OCH3
M SBV 1 29 -5.8750 5.3198
S SKP 8
ID FLIBBCNP0001
KNApSAcK_ID C00009964
NAME Glycyrrhisoflavanone
CAS_RN 116709-69-4
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c4)c(c(cc(O)4)1)C(C(c(c2)cc(C=3)c(OC(C3)(C)C)c(O)2)CO1)=O
M END
