Mol:FL2FALNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1639 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1639 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 33 0.6638 0.4653 | + | M SVB 1 33 0.6638 0.4653 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0007 | + | ID FL2FALNI0007 |
| − | KNApSAcK_ID C00008433 | + | KNApSAcK_ID C00008433 |
| − | NAME Leachianone A | + | NAME Leachianone A |
| − | CAS_RN 97938-31-3 | + | CAS_RN 97938-31-3 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C | + | SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.5829 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5411 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -0.7702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 -1.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0202 -1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -1.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5007 -1.0709 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0202 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0202 -2.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 -1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 -0.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0898 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5554 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 -0.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -0.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 0.7714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.1037 0.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0620 -2.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6241 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6241 0.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1037 -0.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 1.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 1.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1032 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6236 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5829 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6638 0.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1639 1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
2 22 1 0 0 0 0
15 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 0.6638 0.4653
S SKP 8
ID FL2FALNI0007
KNApSAcK_ID C00008433
NAME Leachianone A
CAS_RN 97938-31-3
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES C(c21)(=O)CC(c(c3OC)ccc(c3)O)Oc1c(c(O)cc2O)CC(C(C)=C)CC=C(C)C
M END
