Mol:FL5FA9NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.4587 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4587 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4587 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4587 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8726 1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8726 1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2866 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2866 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8726 -0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8726 -0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6448 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6448 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0140 -0.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0140 -0.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6169 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6169 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6169 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6169 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0140 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0140 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6448 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6448 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0140 -1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0140 -1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0370 -1.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0370 -1.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2477 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8785 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8785 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8785 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8785 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2477 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2477 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4587 -0.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4587 -0.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2477 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2477 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0585 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0585 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1133 1.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1133 1.9478 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 |
| − | 5 7 1 0 0 0 0 | + | 5 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 7 2 0 0 0 0 | + | 12 7 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 10 1 0 0 0 0 | + | 18 10 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FA9NI0001 | + | ID FL5FA9NI0001 |
| − | KNApSAcK_ID C00001045 | + | KNApSAcK_ID C00001045 |
| − | NAME Glepidotin A | + | NAME Glepidotin A |
| − | CAS_RN 42193-83-9 | + | CAS_RN 42193-83-9 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c3O)(c2c(CC=C(C)C)c(O)c3)C(C(=C(O2)c(c1)cccc1)O)=O | + | SMILES c(c3O)(c2c(CC=C(C)C)c(O)c3)C(C(=C(O2)c(c1)cccc1)O)=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/
25 27 0 0 0 0 0 0 0 0999 V2000
2.4587 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4587 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2866 0.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2866 -0.0101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8726 -0.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6448 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0140 -0.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6169 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6169 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0140 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6448 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0140 -1.9574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0370 -1.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2477 -0.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8785 -0.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8785 -1.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2477 -1.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2477 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4587 -0.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2477 0.6665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0585 2.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1133 1.9478 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
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
11 13 2 0 0 0 0
12 14 1 0 0 0 0
9 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 10 1 0 0 0 0
18 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
S SKP 8
ID FL5FA9NI0001
KNApSAcK_ID C00001045
NAME Glepidotin A
CAS_RN 42193-83-9
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c3O)(c2c(CC=C(C)C)c(O)c3)C(C(=C(O2)c(c1)cccc1)O)=O
M END
