Mol:FL4DCDNI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8567 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8567 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8150 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8150 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8150 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8150 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8567 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8567 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2268 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2268 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.2268 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2268 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8109 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8109 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8547 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8547 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8547 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8547 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3328 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3328 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8109 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8109 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8547 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8547 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7629 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7629 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8562 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8562 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8562 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8562 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3766 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3766 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3359 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3359 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5937 1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5937 1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0140 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0140 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2140 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2140 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7141 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7141 1.1846 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 17 26 1 0 0 0 0 | + | 17 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 2 2 28 29 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 -2.214 0.3186 | + | M SVB 2 30 -2.214 0.3186 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 1.5937 1.5042 | + | M SVB 1 28 1.5937 1.5042 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCDNI0001 | + | ID FL4DCDNI0001 |
| − | KNApSAcK_ID C00008641 | + | KNApSAcK_ID C00008641 |
| − | NAME Scariosin | + | NAME Scariosin |
| − | CAS_RN 143557-94-2 | + | CAS_RN 143557-94-2 |
| − | FORMULA C22H24O7 | + | FORMULA C22H24O7 |
| − | EXACTMASS 400.152203122 | + | EXACTMASS 400.152203122 |
| − | AVERAGEMASS 400.42176000000006 | + | AVERAGEMASS 400.42176000000006 |
| − | SMILES O(C)c(c(CC=C(C)C)1)cc(O)c(C3=O)c1O[C@@H]([C@H]3O)c(c2)cc(OC)c(O)c2 | + | SMILES O(C)c(c(CC=C(C)C)1)cc(O)c(C3=O)c1O[C@@H]([C@H]3O)c(c2)cc(OC)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.8567 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8150 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8567 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2268 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2268 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2941 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3328 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8547 0.6397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7629 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3766 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3359 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5937 1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0140 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2140 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7141 1.1846 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
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 1 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
17 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 28 29
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 -2.214 0.3186
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 1.5937 1.5042
S SKP 8
ID FL4DCDNI0001
KNApSAcK_ID C00008641
NAME Scariosin
CAS_RN 143557-94-2
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES O(C)c(c(CC=C(C)C)1)cc(O)c(C3=O)c1O[C@@H]([C@H]3O)c(c2)cc(OC)c(O)c2
M END
