Mol:FL1DQUNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 24 0 0 0 0 0 0 0 0999 V2000 | + | 23 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5558 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5558 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5558 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5558 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0910 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0910 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6263 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6263 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6263 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6263 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0910 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0910 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0910 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0910 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1619 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1619 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1619 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1619 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3014 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3014 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7646 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7646 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2278 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2278 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6910 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6910 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1542 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1542 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6910 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6910 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2278 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2278 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1619 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1619 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1542 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1542 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8511 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8511 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9380 0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9380 0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8122 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8122 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4303 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4303 1.0986 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 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 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 5 8 2 0 0 0 0 | + | 5 8 2 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 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 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 |
| − | 9 18 2 0 0 0 0 | + | 9 18 2 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 1 21 2 0 0 0 0 | + | 1 21 2 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DQUNM0002 | + | ID FL1DQUNM0002 |
| − | KNApSAcK_ID C00007980 | + | KNApSAcK_ID C00007980 |
| − | NAME Grandiflorone | + | NAME Grandiflorone |
| − | CAS_RN 50861-53-5 | + | CAS_RN 50861-53-5 |
| − | FORMULA C19H22O4 | + | FORMULA C19H22O4 |
| − | EXACTMASS 314.151809192 | + | EXACTMASS 314.151809192 |
| − | AVERAGEMASS 314.37558 | + | AVERAGEMASS 314.37558 |
| − | SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)CCc(c1)cccc1 | + | SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 24 0 0 0 0 0 0 0 0999 V2000
-1.5558 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5558 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6263 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6263 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -1.0986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1619 0.5107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1619 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3014 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7646 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 -0.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 -0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1542 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6910 0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2278 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1619 -1.0970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1542 -0.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8511 -0.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9380 0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8122 0.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4303 1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
5 8 2 0 0 0 0
4 9 1 0 0 0 0
9 10 1 0 0 0 0
10 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 17 2 0 0 0 0
17 12 1 0 0 0 0
9 18 2 0 0 0 0
2 19 1 0 0 0 0
2 20 1 0 0 0 0
1 21 2 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
S SKP 8
ID FL1DQUNM0002
KNApSAcK_ID C00007980
NAME Grandiflorone
CAS_RN 50861-53-5
FORMULA C19H22O4
EXACTMASS 314.151809192
AVERAGEMASS 314.37558
SMILES C(C(=C2O)C(C(C(C2(C)C)=O)(C)C)=O)(=O)CCc(c1)cccc1
M END
