Mol:FL1CHYNP0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8665 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8665 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8665 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8665 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3102 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3102 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7539 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7539 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7539 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7539 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3102 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3102 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1976 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1976 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3587 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3587 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9148 -0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9148 -0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0319 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0319 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0319 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0319 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4709 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4709 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1976 -0.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1976 -0.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9148 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9148 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2090 -0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2090 -0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5897 0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5897 0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2090 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2090 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4228 0.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4228 0.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9791 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9791 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9791 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9791 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4228 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4228 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4335 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4335 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5897 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5897 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1978 0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1978 0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5166 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5166 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7466 -0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7466 -0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0322 -0.9616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0322 -0.9616 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 |
| − | 12 18 1 0 0 0 0 | + | 12 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 13 1 0 0 0 0 | + | 20 13 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 2 1 0 0 0 0 | + | 24 2 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 5 27 1 0 0 0 0 | + | 5 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -4.9363 4.1754 | + | M SBV 1 30 -4.9363 4.1754 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 32 | + | M SBL 2 1 32 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 32 -5.9288 3.6938 | + | M SBV 2 32 -5.9288 3.6938 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0007 | + | ID FL1CHYNP0007 |
| − | KNApSAcK_ID C00007014 | + | KNApSAcK_ID C00007014 |
| − | NAME Pongapinone A | + | NAME Pongapinone A |
| − | CAS_RN 150501-60-3,146713-95-3 | + | CAS_RN 150501-60-3,146713-95-3 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES O(c12)COc(ccc(C(O)=CC(c(c4OC)c(OC)cc(c34)OC(C=C3)(C)C)=O)c2)1 | + | SMILES O(c12)COc(ccc(C(O)=CC(c(c4OC)c(OC)cc(c34)OC(C=C3)(C)C)=O)c2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.8665 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8665 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7539 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7539 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3102 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1976 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3587 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9148 -0.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0319 -0.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0319 0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4709 0.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1976 -0.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9148 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2090 -0.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5897 0.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2090 0.7805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 0.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9791 0.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9791 -0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4228 -0.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4335 1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5897 0.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1978 0.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5166 0.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7466 -0.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0322 -0.9616 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
12 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 13 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 2 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
5 27 1 0 0 0 0
27 28 1 0 0 0 0
3 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -4.9363 4.1754
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 32
M SMT 2 OCH3
M SBV 2 32 -5.9288 3.6938
S SKP 8
ID FL1CHYNP0007
KNApSAcK_ID C00007014
NAME Pongapinone A
CAS_RN 150501-60-3,146713-95-3
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES O(c12)COc(ccc(C(O)=CC(c(c4OC)c(OC)cc(c34)OC(C=C3)(C)C)=O)c2)1
M END
