Mol:FLICWXNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2883 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2883 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2883 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2883 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7320 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7320 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1757 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1757 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1757 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1757 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7320 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7320 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6194 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6194 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0631 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0631 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0631 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0631 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6194 1.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6194 1.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8444 1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8444 1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4930 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4930 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4930 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4930 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0878 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0878 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6826 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6826 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6826 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6826 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0878 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0878 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1012 -0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1012 -0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0878 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0878 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6826 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6826 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2774 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2774 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2774 -0.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2774 -0.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2774 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2774 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8444 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8444 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 2 0 0 0 0 | + | 7 8 2 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 8 12 1 0 0 0 0 | + | 8 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLICWXNP0001 | + | ID FLICWXNP0001 |
| − | KNApSAcK_ID C00009755 | + | KNApSAcK_ID C00009755 |
| − | NAME Glabrene | + | NAME Glabrene |
| − | CAS_RN 60008-03-9 | + | CAS_RN 60008-03-9 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c4)c(C=1)c(cc(O)4)OCC(c(c3O)ccc(c32)OC(C=C2)(C)C)1 | + | SMILES c(c4)c(C=1)c(cc(O)4)OCC(c(c3O)ccc(c32)OC(C=C2)(C)C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-2.2883 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2883 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7320 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1757 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7320 1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6194 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0631 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0631 1.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6194 1.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8444 1.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 -0.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6826 -0.0985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6826 0.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1012 -0.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0878 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6826 -1.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2774 -1.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2774 -0.4419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2774 -1.8729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8444 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 2 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
1 11 1 0 0 0 0
8 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 17 2 0 0 0 0
17 12 1 0 0 0 0
13 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 15 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FLICWXNP0001
KNApSAcK_ID C00009755
NAME Glabrene
CAS_RN 60008-03-9
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c4)c(C=1)c(cc(O)4)OCC(c(c3O)ccc(c32)OC(C=C2)(C)C)1
M END
