Mol:FL2FA9NI0016
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5764 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5346 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5346 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 -0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 -0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5764 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5764 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5072 -0.3312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5072 -0.3312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -0.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -0.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0137 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0137 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0962 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0962 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5619 0.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5619 0.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0275 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0275 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5759 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5759 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0962 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0962 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0555 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0555 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4512 -1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4512 -1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6294 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6294 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9336 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9336 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4335 1.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4335 1.1537 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 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 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 -1.9336 0.2876 | + | M SVB 2 27 -1.9336 0.2876 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.5511 -1.3597 | + | M SVB 1 25 -1.5511 -1.3597 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0016 | + | ID FL2FA9NI0016 |
| − | KNApSAcK_ID C00008385 | + | KNApSAcK_ID C00008385 |
| − | NAME Candidone | + | NAME Candidone |
| − | CAS_RN 77727-18-5 | + | CAS_RN 77727-18-5 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES C(C)(C)=CCc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)CC(=O)1 | + | SMILES C(C)(C)=CCc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)CC(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.5764 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5346 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 -0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5764 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5072 -0.3312 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0137 -0.0304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0137 -1.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 -0.3392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 -0.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0962 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5619 0.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0275 0.5863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 0.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 0.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5759 1.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0962 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0555 1.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4512 -1.5572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6294 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9336 0.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4335 1.1537 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
20 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 -1.9336 0.2876
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.5511 -1.3597
S SKP 8
ID FL2FA9NI0016
KNApSAcK_ID C00008385
NAME Candidone
CAS_RN 77727-18-5
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES C(C)(C)=CCc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)CC(=O)1
M END
