Mol:FL1CHYNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3942 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3942 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3942 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3942 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8379 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8379 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2816 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2816 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2816 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2816 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8379 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8379 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2747 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2747 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8310 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8310 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3871 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3871 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9432 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9432 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0652 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0652 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0652 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0652 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 0.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 0.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9432 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9432 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2747 -0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2747 -0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3871 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3871 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5068 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5068 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5068 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5068 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8760 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8760 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0652 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0652 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2743 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2743 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5598 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5598 -1.0542 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 9 17 1 0 0 0 0 | + | 9 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -4.5696 2.3018 | + | M SBV 1 26 -4.5696 2.3018 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0002 | + | ID FL1CHYNP0002 |
| − | KNApSAcK_ID C00007002 | + | KNApSAcK_ID C00007002 |
| − | NAME 6'-Demethoxypraecansone B | + | NAME 6'-Demethoxypraecansone B |
| − | CAS_RN 93753-26-5 | + | CAS_RN 93753-26-5 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)c(c(cc2)1)C=CC(C)(C)O1 | + | SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)c(c(cc2)1)C=CC(C)(C)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.3942 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3942 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8310 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -0.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -0.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 0.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 0.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -0.9825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 0.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5068 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5068 -0.1600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.4812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8760 1.1218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 0.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2743 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5598 -1.0542 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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 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 10 1 0 0 0 0
7 16 2 0 0 0 0
9 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
3 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -4.5696 2.3018
S SKP 8
ID FL1CHYNP0002
KNApSAcK_ID C00007002
NAME 6'-Demethoxypraecansone B
CAS_RN 93753-26-5
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)c(c(cc2)1)C=CC(C)(C)O1
M END
