Mol:FLID1CNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 31 0 0 0 0 0 0 0 0999 V2000 | + | 26 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9329 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9329 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9329 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9329 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3766 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3766 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8203 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8203 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8203 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8203 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3766 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3766 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2640 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2640 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2923 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2923 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2923 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2923 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2640 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2640 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8484 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8484 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8484 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8484 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4431 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4431 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0379 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0379 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0379 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0379 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4431 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4431 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2582 -1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2582 -1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4892 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4892 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3766 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3766 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9329 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9329 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4892 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4892 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4892 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4892 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0948 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0948 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6911 -1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6911 -1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0948 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0948 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6911 -0.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6911 -0.6024 0.0000 O 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 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1CNP0002 | + | ID FLID1CNP0002 |
| − | KNApSAcK_ID C00009650 | + | KNApSAcK_ID C00009650 |
| − | NAME Leiocarpin | + | NAME Leiocarpin |
| − | CAS_RN 34198-69-1 | + | CAS_RN 34198-69-1 |
| − | FORMULA C21H18O5 | + | FORMULA C21H18O5 |
| − | EXACTMASS 350.115423686 | + | EXACTMASS 350.115423686 |
| − | AVERAGEMASS 350.36462 | + | AVERAGEMASS 350.36462 |
| − | SMILES c(C36)(c2)c(OCC(c(c(O6)4)cc(O5)c(OC5)c4)3)c(c(c2)1)C=CC(C)(C)O1 | + | SMILES c(C36)(c2)c(OCC(c(c(O6)4)cc(O5)c(OC5)c4)3)c(c(c2)1)C=CC(C)(C)O1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 31 0 0 0 0 0 0 0 0999 V2000
-1.9329 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8203 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 0.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2640 -0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2923 -0.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2923 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2640 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8484 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4431 -1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0379 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0379 -0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4431 -0.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2582 -1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 0.4700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3766 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9329 1.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4892 1.8448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0948 0.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6911 -1.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0948 -1.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6911 -0.6024 0.0000 O 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
7 17 1 0 0 0 0
1 2 1 0 0 0 0
18 1 1 0 0 0 0
12 17 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
S SKP 8
ID FLID1CNP0002
KNApSAcK_ID C00009650
NAME Leiocarpin
CAS_RN 34198-69-1
FORMULA C21H18O5
EXACTMASS 350.115423686
AVERAGEMASS 350.36462
SMILES c(C36)(c2)c(OCC(c(c(O6)4)cc(O5)c(OC5)c4)3)c(c(c2)1)C=CC(C)(C)O1
M END
