Mol:FLNAA9NP0002
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 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8649 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3086 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3086 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2475 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2475 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2475 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2475 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8242 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8242 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4010 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4010 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4010 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4010 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8242 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8242 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8647 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8647 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3086 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3086 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8242 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8242 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2713 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2713 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2713 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2713 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8242 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8242 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3771 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3771 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3771 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3771 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9773 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9773 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3086 -1.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3086 -1.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3086 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3086 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8649 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8649 2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8649 2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2475 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2475 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4212 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4212 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4208 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4208 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4208 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4208 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8647 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8647 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3372 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3372 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5010 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5010 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9773 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9773 1.7920 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 3 1 0 0 0 0 | + | 8 3 1 0 0 0 0 |
| − | 1 9 1 0 0 0 0 | + | 1 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 10 18 1 0 0 0 0 | + | 10 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 19 23 2 0 0 0 0 | + | 19 23 2 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 9 25 1 0 0 0 0 | + | 9 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 18 1 0 0 0 0 | + | 27 18 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NP0002 | + | ID FLNAA9NP0002 |
| − | KNApSAcK_ID C00010213 | + | KNApSAcK_ID C00010213 |
| − | NAME cis-and-trans-Inophyllolide;Inophyllum E | + | NAME cis-and-trans-Inophyllolide;Inophyllum E |
| − | CAS_RN 17312-31-1 | + | CAS_RN 17312-31-1 |
| − | FORMULA C25H22O5 | + | FORMULA C25H22O5 |
| − | EXACTMASS 402.146723814 | + | EXACTMASS 402.146723814 |
| − | AVERAGEMASS 402.43918 | + | AVERAGEMASS 402.43918 |
| − | SMILES O(C(C)5)c(c43)c(C(=O)C(C)5)c(O2)c(c3OC(C)(C)C=C4)C(=CC(=O)2)c(c1)cccc1 | + | SMILES O(C(C)5)c(c43)c(C(=O)C(C)5)c(O2)c(c3OC(C)(C)C=C4)C(=CC(=O)2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-0.8649 0.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2475 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2475 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4010 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 0.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 -1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3771 -2.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3771 -1.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9773 0.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 -1.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3086 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 1.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 0.8284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2475 1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4212 1.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4208 -0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4208 -1.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8647 -1.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3372 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5010 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9773 1.7920 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 7 1 0 0 0 0
7 8 1 0 0 0 0
8 3 1 0 0 0 0
1 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 1 0 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
7 17 2 0 0 0 0
10 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
19 23 2 0 0 0 0
20 24 1 0 0 0 0
9 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 18 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
24 21 1 0 0 0 0
24 30 1 0 0 0 0
S SKP 8
ID FLNAA9NP0002
KNApSAcK_ID C00010213
NAME cis-and-trans-Inophyllolide;Inophyllum E
CAS_RN 17312-31-1
FORMULA C25H22O5
EXACTMASS 402.146723814
AVERAGEMASS 402.43918
SMILES O(C(C)5)c(c43)c(C(=O)C(C)5)c(O2)c(c3OC(C)(C)C=C4)C(=CC(=O)2)c(c1)cccc1
M END
