Mol:FLIAALNP0010
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8420 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8420 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8420 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8420 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2857 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2857 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7294 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7294 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7294 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7294 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2857 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2857 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1731 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3833 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3833 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3833 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3833 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1731 0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9393 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9393 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9393 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9393 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5341 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5341 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1289 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1289 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1289 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1289 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5341 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5341 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1731 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2857 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2857 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3981 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3981 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3981 0.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3981 0.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2857 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2857 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3451 -1.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3451 -1.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8420 1.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8420 1.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3981 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3981 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3983 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3983 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8420 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8420 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7556 2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7556 2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0804 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0804 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2713 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2713 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4908 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4908 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9949 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9949 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8610 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8610 -2.1739 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 35 2.3659 -1.3801 | + | M SVB 1 35 2.3659 -1.3801 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNP0010 | + | ID FLIAALNP0010 |
| − | KNApSAcK_ID C00009526 | + | KNApSAcK_ID C00009526 |
| − | NAME 1'',2''-Dihydro-2'-hydroxycycloosajin | + | NAME 1'',2''-Dihydro-2'-hydroxycycloosajin |
| − | CAS_RN 78876-34-3 | + | CAS_RN 78876-34-3 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES O(C5(C)C)c(c(CC5)2)c(c(c(C(=O)3)c2OC=C(c(c(O)4)ccc(OC)c4)3)1)CCC(C)(C)O1 | + | SMILES O(C5(C)C)c(c(CC5)2)c(c(c(C(=O)3)c2OC=C(c(c(O)4)ccc(OC)c4)3)1)CCC(C)(C)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.8420 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7294 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7294 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 0.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 -0.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 -0.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3833 0.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 0.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9393 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5341 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1289 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5341 -0.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 -1.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 -0.4871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 0.7974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2857 1.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3451 -1.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 1.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3981 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3983 -1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8420 -1.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7556 2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0804 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2713 -1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4908 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9949 -1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8610 -2.1739 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
12 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 20 1 0 0 0 0
19 25 1 0 0 0 0
25 26 1 0 0 0 0
26 18 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
14 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 35
M SMT 1 OCH3
M SVB 1 35 2.3659 -1.3801
S SKP 8
ID FLIAALNP0010
KNApSAcK_ID C00009526
NAME 1'',2''-Dihydro-2'-hydroxycycloosajin
CAS_RN 78876-34-3
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES O(C5(C)C)c(c(CC5)2)c(c(c(C(=O)3)c2OC=C(c(c(O)4)ccc(OC)c4)3)1)CCC(C)(C)O1
M END
