Mol:FL1CHYNP0001
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 |
| − | -1.3942 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3942 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3942 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3942 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8379 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8379 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2816 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2816 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2816 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2816 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8379 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8379 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2747 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2747 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8310 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8310 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3871 -0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3871 -0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9432 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9432 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 -0.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 -0.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0652 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0652 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0652 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0652 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5042 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5042 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9432 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9432 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2747 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2747 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8379 -1.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8379 -1.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3871 -1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3871 -1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 0.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 0.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5068 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5068 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5068 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5068 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9505 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9505 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8760 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8760 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0652 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0652 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2745 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2745 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9890 0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9890 0.3917 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 9 18 1 0 0 0 0 | + | 9 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -3.5771 2.7842 | + | M SBV 1 27 -3.5771 2.7842 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0001 | + | ID FL1CHYNP0001 |
| − | KNApSAcK_ID C00007001 | + | KNApSAcK_ID C00007001 |
| − | NAME Demethylpraecanson B | + | NAME Demethylpraecanson B |
| − | CAS_RN 74517-66-1 | + | CAS_RN 74517-66-1 |
| − | FORMULA C21H20O5 | + | FORMULA C21H20O5 |
| − | EXACTMASS 352.13107375 | + | EXACTMASS 352.13107375 |
| − | AVERAGEMASS 352.3805 | + | AVERAGEMASS 352.3805 |
| − | SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)cc(c1c(O)2)OC(C=C1)(C)C | + | SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)cc(c1c(O)2)OC(C=C1)(C)C |
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
-1.3942 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3942 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2816 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 0.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8310 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -0.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 -0.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0652 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5042 0.8124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9432 0.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2747 -0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8379 -1.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3871 -1.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 0.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5068 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5068 -0.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9505 -0.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8760 1.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0652 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2745 0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9890 0.3917 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
3 17 1 0 0 0 0
9 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -3.5771 2.7842
S SKP 8
ID FL1CHYNP0001
KNApSAcK_ID C00007001
NAME Demethylpraecanson B
CAS_RN 74517-66-1
FORMULA C21H20O5
EXACTMASS 352.13107375
AVERAGEMASS 352.3805
SMILES COc(c2C(C=C(O)c(c3)cccc3)=O)cc(c1c(O)2)OC(C=C1)(C)C
M END
