Mol:FL4DA9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1051 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1051 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5843 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5843 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0634 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0634 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0634 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0634 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5843 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5843 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1051 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1051 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4575 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4575 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9784 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9784 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9784 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9784 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4575 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4575 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4988 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4988 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4575 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4575 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0331 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0331 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5675 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5675 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5675 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5675 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0331 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0331 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4988 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4988 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6255 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6255 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6255 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6255 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1459 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1459 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4988 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4988 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5843 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5843 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1459 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1459 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5162 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5162 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5675 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5675 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5843 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5843 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1046 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1046 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1046 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1046 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6250 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6250 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5843 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5843 1.8032 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 8 21 1 1 0 0 0 | + | 8 21 1 1 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 18 23 1 0 0 0 0 | + | 18 23 1 0 0 0 0 |
| − | 23 20 1 0 0 0 0 | + | 23 20 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 |
| − | 5 26 1 0 0 0 0 | + | 5 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NP0001 | + | ID FL4DA9NP0001 |
| − | KNApSAcK_ID C00008609 | + | KNApSAcK_ID C00008609 |
| − | NAME Mundulinol | + | NAME Mundulinol |
| − | CAS_RN 71385-95-0 | + | CAS_RN 71385-95-0 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES C(c(c4)cccc4)(O3)C(C(c(c23)c(O)c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)=O)O | + | SMILES C(c(c4)cccc4)(O3)C(C(c(c23)c(O)c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.1051 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0634 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0634 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1051 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4575 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9784 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9784 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4575 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4575 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0331 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5675 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0331 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6255 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1459 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4988 -1.2020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1459 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5162 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5675 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1046 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1046 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6250 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5843 1.8032 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 2 0 0 0 0
8 21 1 1 0 0 0
2 22 1 0 0 0 0
18 23 1 0 0 0 0
23 20 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
5 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL4DA9NP0001
KNApSAcK_ID C00008609
NAME Mundulinol
CAS_RN 71385-95-0
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES C(c(c4)cccc4)(O3)C(C(c(c23)c(O)c(C=1)c(c(CC=C(C)C)2)OC(C1)(C)C)=O)O
M END
