Mol:BMCCBR--0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 23 0 0 1 0 0 0 0 0999 V2000 | + | 20 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.1816 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1816 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1816 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1816 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3156 2.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3156 2.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4496 1.2031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4496 1.2031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.5836 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5836 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5836 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5836 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4496 -0.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4496 -0.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.3156 -0.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 4.3156 -0.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 4.3156 0.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.3156 0.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.8930 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8930 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3157 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3157 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1610 -2.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 3.1610 -2.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.5836 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5836 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3156 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3156 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3751 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3751 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9496 3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9496 3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.1817 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.1817 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 5 6 1 6 0 0 0 | + | 5 6 1 6 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 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 |
| − | 10 20 1 6 0 0 0 | + | 10 20 1 6 0 0 0 |
| − | 10 9 1 1 0 0 0 | + | 10 9 1 1 0 0 0 |
| − | 8 14 1 6 0 0 0 | + | 8 14 1 6 0 0 0 |
| − | 13 14 1 6 0 0 0 | + | 13 14 1 6 0 0 0 |
| − | 10 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
| − | 13 16 1 0 0 0 0 | + | 13 16 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 8 15 1 1 0 0 0 | + | 8 15 1 1 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCBR--0005 | + | ID BMCCBR--0005 |
| − | NAME ent-Kaur-16-ene | + | NAME ent-Kaur-16-ene |
| − | FORMULA C20H32 | + | FORMULA C20H32 |
| − | EXACTMASS 272.2504 | + | EXACTMASS 272.2504 |
| − | AVERAGEMASS 272.468 | + | AVERAGEMASS 272.468 |
| − | SMILES C(C4)C[C@@](C)([C@@H](C4(C)C)3)[C@@H]([C@@](CC3)12)CC[C@H](C2)C(C1)=C | + | SMILES C(C4)C[C@@](C)([C@@H](C4(C)C)3)[C@@H]([C@@](CC3)12)CC[C@H](C2)C(C1)=C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06090 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06090 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 23 0 0 1 0 0 0 0 0999 V2000
5.1816 1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1816 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 2.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 1.2031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5836 0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5836 -0.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4496 -0.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3156 -0.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3156 0.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8930 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3157 -2.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1610 -2.2969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5836 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3156 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3751 -1.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9496 3.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4496 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1817 0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9 8 1 0 0 0 0
13 12 1 0 0 0 0
12 11 1 0 0 0 0
9 11 1 6 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
10 5 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 6 0 0 0
4 18 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
10 20 1 6 0 0 0
10 9 1 1 0 0 0
8 14 1 6 0 0 0
13 14 1 6 0 0 0
10 1 1 0 0 0 0
13 16 1 0 0 0 0
1 2 1 0 0 0 0
8 15 1 1 0 0 0
16 15 1 0 0 0 0
16 17 2 0 0 0 0
2 3 1 0 0 0 0
S SKP 7
ID BMCCBR--0005
NAME ent-Kaur-16-ene
FORMULA C20H32
EXACTMASS 272.2504
AVERAGEMASS 272.468
SMILES C(C4)C[C@@](C)([C@@H](C4(C)C)3)[C@@H]([C@@](CC3)12)CC[C@H](C2)C(C1)=C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06090
M END
