Mol:FLIABANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4496 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3370 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3370 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7756 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7756 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3317 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3317 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5213 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5213 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9265 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9265 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2193 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2193 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1155 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1155 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0059 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0059 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8933 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8933 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4496 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4496 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0059 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0059 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7077 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7077 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0057 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0057 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 -2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 -2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1155 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1155 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3297 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3297 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6152 -1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6152 -1.0976 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 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 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -5.6150 3.7434 | + | M SBV 1 33 -5.6150 3.7434 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIABANP0001 | + | ID FLIABANP0001 |
| − | KNApSAcK_ID C00009518 | + | KNApSAcK_ID C00009518 |
| − | NAME Scandinone;Nallanin | + | NAME Scandinone;Nallanin |
| − | CAS_RN 5233-97-6 | + | CAS_RN 5233-97-6 |
| − | FORMULA C26H26O5 | + | FORMULA C26H26O5 |
| − | EXACTMASS 418.178023942 | + | EXACTMASS 418.178023942 |
| − | AVERAGEMASS 418.48163999999997 | + | AVERAGEMASS 418.48163999999997 |
| − | SMILES C(c12)=CC(Oc(c(CC=C(C)C)c(c(C(=O)3)c(OC=C(c(c4)ccc(c4)O)3)2)OC)1)(C)C | + | SMILES C(c12)=CC(Oc(c(CC=C(C)C)c(c(C(=O)3)c(OC=C(c(c4)ccc(c4)O)3)2)OC)1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.4496 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3370 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -0.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 -0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7756 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3317 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -1.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5213 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 -0.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2193 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1155 -1.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 0.7602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8933 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 1.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0059 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7077 1.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -0.5244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0057 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 -2.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1155 -1.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3297 -0.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6152 -1.0976 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
14 18 1 0 0 0 0
19 1 1 0 0 0 0
6 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 19 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
2 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
3 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -5.6150 3.7434
S SKP 8
ID FLIABANP0001
KNApSAcK_ID C00009518
NAME Scandinone;Nallanin
CAS_RN 5233-97-6
FORMULA C26H26O5
EXACTMASS 418.178023942
AVERAGEMASS 418.48163999999997
SMILES C(c12)=CC(Oc(c(CC=C(C)C)c(c(C(=O)3)c(OC=C(c(c4)ccc(c4)O)3)2)OC)1)(C)C
M END
