Mol:FL1CA9NP0007
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3001 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3001 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3001 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3001 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8564 -1.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8564 -1.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4127 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4127 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4127 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4127 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8564 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8564 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1669 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1669 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7232 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7232 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3892 -1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3892 -1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9502 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9502 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3892 -2.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3892 -2.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9502 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9502 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0555 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0555 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0555 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0555 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 -1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 -1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 -2.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 -2.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3975 -0.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3975 -0.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3975 0.3682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.3975 0.3682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9502 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9502 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5028 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5028 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1413 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1413 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6801 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6801 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1413 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1413 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3975 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3975 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0789 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0789 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4127 0.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4127 0.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9127 0.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9127 0.8957 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 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 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 13 1 0 0 0 0 | + | 21 13 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 23 26 2 0 0 0 0 | + | 23 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -2.4127 0.0297 | + | M SVB 1 31 -2.4127 0.0297 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0007 | + | ID FL1CA9NP0007 |
| − | KNApSAcK_ID C00007131 | + | KNApSAcK_ID C00007131 |
| − | NAME Boesenbergin A | + | NAME Boesenbergin A |
| − | CAS_RN 81943-62-6 | + | CAS_RN 81943-62-6 |
| − | FORMULA C26H28O4 | + | FORMULA C26H28O4 |
| − | EXACTMASS 404.19875938399997 | + | EXACTMASS 404.19875938399997 |
| − | AVERAGEMASS 404.49812 | + | AVERAGEMASS 404.49812 |
| − | SMILES C(CC=C(C)C)C(O3)(C)C=Cc(c13)c(OC)cc(c1C(=O)C=Cc(c2)cccc2)O | + | SMILES C(CC=C(C)C)C(O3)(C)C=Cc(c13)c(OC)cc(c1C(=O)C=Cc(c2)cccc2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
1.3001 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3001 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 -1.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4127 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4127 -0.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8564 -0.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1669 -1.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7232 -1.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -1.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9502 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3892 -2.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9502 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0555 -1.2271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 -2.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 -0.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 0.3682 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9502 0.6873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5028 0.3682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 0.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6801 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1413 1.3014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3975 0.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 1.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 2.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0789 0.9908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4127 0.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9127 0.8957 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 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 21 2 0 0 0 0
21 13 1 0 0 0 0
19 22 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 19 1 0 0 0 0
23 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 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 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.4127 0.0297
S SKP 8
ID FL1CA9NP0007
KNApSAcK_ID C00007131
NAME Boesenbergin A
CAS_RN 81943-62-6
FORMULA C26H28O4
EXACTMASS 404.19875938399997
AVERAGEMASS 404.49812
SMILES C(CC=C(C)C)C(O3)(C)C=Cc(c13)c(OC)cc(c1C(=O)C=Cc(c2)cccc2)O
M END
