Mol:FL1CHYNP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3387 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3387 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3387 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7824 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7824 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2261 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2261 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2261 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2261 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7824 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7824 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3302 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3302 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8865 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8865 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4426 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4426 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9987 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9987 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5597 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5597 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1207 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1207 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1207 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1207 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5597 0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5597 0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9987 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9987 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3302 -0.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3302 -0.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4426 -1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4426 -1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8950 0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8950 0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4514 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4514 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4514 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4514 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8950 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8950 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9268 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9268 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1207 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1207 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3300 0.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3300 0.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0444 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0444 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2189 -0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2189 -0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5044 -0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5044 -0.9722 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 |
| − | 5 24 1 0 0 0 0 | + | 5 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 -4.4085 4.1648 | + | M SBV 1 26 -4.4085 4.1648 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 28 -5.4010 3.6832 | + | M SBV 2 28 -5.4010 3.6832 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CHYNP0006 | + | ID FL1CHYNP0006 |
| − | KNApSAcK_ID C00007012 | + | KNApSAcK_ID C00007012 |
| − | NAME Praecansone B | + | NAME Praecansone B |
| − | CAS_RN 74517-75-2 | + | CAS_RN 74517-75-2 |
| − | FORMULA C22H22O5 | + | FORMULA C22H22O5 |
| − | EXACTMASS 366.146723814 | + | EXACTMASS 366.146723814 |
| − | AVERAGEMASS 366.40708000000006 | + | AVERAGEMASS 366.40708000000006 |
| − | SMILES c(c31)(C=CC(O3)(C)C)c(OC)c(C(C=C(c(c2)cccc2)O)=O)c(OC)c1 | + | SMILES c(c31)(C=CC(O3)(C)C)c(OC)c(C(C=C(c(c2)cccc2)O)=O)c(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.3387 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3387 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2261 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7824 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3302 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8865 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4426 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 -0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1207 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5597 0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9987 0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3302 -0.9005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4426 -1.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8950 0.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4514 0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4514 -0.0780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8950 -0.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9268 1.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1207 0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3300 0.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0444 0.4729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2189 -0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5044 -0.9722 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
5 24 1 0 0 0 0
24 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 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 -4.4085 4.1648
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SBV 2 28 -5.4010 3.6832
S SKP 8
ID FL1CHYNP0006
KNApSAcK_ID C00007012
NAME Praecansone B
CAS_RN 74517-75-2
FORMULA C22H22O5
EXACTMASS 366.146723814
AVERAGEMASS 366.40708000000006
SMILES c(c31)(C=CC(O3)(C)C)c(OC)c(C(C=C(c(c2)cccc2)O)=O)c(OC)c1
M END
