Mol:FLIA1ANI0002
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 |
| − | -3.2908 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2908 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2908 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2908 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7345 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7345 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1782 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1782 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1782 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1782 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7345 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7345 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6219 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6219 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0656 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0656 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0656 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0656 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6219 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6219 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5095 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5095 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5095 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5095 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0853 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0853 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6800 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6800 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6800 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6800 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0853 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0853 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6219 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6219 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2748 -1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2748 -1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8690 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8690 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4632 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4632 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0562 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0562 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6481 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6481 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0562 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0562 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6481 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6481 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1481 2.1722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1481 2.1722 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 14 1 0 0 0 0 | + | 18 14 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 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 SVB 1 26 -3.6481 1.3062 | + | M SVB 1 26 -3.6481 1.3062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1ANI0002 | + | ID FLIA1ANI0002 |
| − | KNApSAcK_ID C00009435 | + | KNApSAcK_ID C00009435 |
| − | NAME Durlettone | + | NAME Durlettone |
| − | CAS_RN 60270-41-9 | + | CAS_RN 60270-41-9 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES c(c3)c(ccc(OCC=C(C)C)3)C(C1=O)=COc(c2)c1ccc2OC | + | SMILES c(c3)c(ccc(OCC=C(C)C)3)C(C1=O)=COc(c2)c1ccc2OC |
M END | M END | ||
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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
-3.2908 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2908 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7345 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1782 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1782 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7345 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0656 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5095 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5095 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6800 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6800 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0853 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6219 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2748 -1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8690 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0562 -0.9638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6481 -1.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0562 -0.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6481 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1481 2.1722 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 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 14 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 22 1 0 0 0 0
21 23 1 0 0 0 0
1 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 SVB 1 26 -3.6481 1.3062
S SKP 8
ID FLIA1ANI0002
KNApSAcK_ID C00009435
NAME Durlettone
CAS_RN 60270-41-9
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES c(c3)c(ccc(OCC=C(C)C)3)C(C1=O)=COc(c2)c1ccc2OC
M END
