Mol:FL6DPTNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9339 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9339 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9339 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9339 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3776 -1.1419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.3776 -1.1419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.1787 -0.8207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.1787 -0.8207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.1787 -0.1783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1787 -0.1783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3776 0.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3776 0.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7350 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7350 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2913 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2913 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2913 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2913 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7350 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7350 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0465 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0465 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0465 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0465 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4902 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4902 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8476 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8476 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8476 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8476 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2913 1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2913 1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7350 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7350 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2913 1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2913 1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4037 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4037 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3776 -1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3776 -1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4037 0.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4037 0.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9037 1.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9037 1.3064 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 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 4 7 1 1 0 0 0 | + | 4 7 1 1 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 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 5 10 1 6 0 0 0 | + | 5 10 1 6 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 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 2 1 0 0 0 0 | + | 14 2 1 0 0 0 0 |
| − | 9 15 1 0 0 0 0 | + | 9 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 10 1 0 0 0 0 | + | 18 10 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 3 21 1 6 0 0 0 | + | 3 21 1 6 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -2.4037 0.4404 | + | M SVB 1 25 -2.4037 0.4404 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DPTNS0003 | + | ID FL6DPTNS0003 |
| − | KNApSAcK_ID C00009041 | + | KNApSAcK_ID C00009041 |
| − | NAME 7-O-Methylpeltogynol | + | NAME 7-O-Methylpeltogynol |
| − | CAS_RN 53766-33-9 | + | CAS_RN 53766-33-9 |
| − | FORMULA C17H16O6 | + | FORMULA C17H16O6 |
| − | EXACTMASS 316.094688244 | + | EXACTMASS 316.094688244 |
| − | AVERAGEMASS 316.30534 | + | AVERAGEMASS 316.30534 |
| − | SMILES COc(c4)cc(O1)c(c4)[C@@H](O)[C@H](O3)[C@H]1c(c2)c(C3)cc(O)c(O)2 | + | SMILES COc(c4)cc(O1)c(c4)[C@@H](O)[C@H](O3)[C@H]1c(c2)c(C3)cc(O)c(O)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-0.9339 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9339 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -1.1419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1787 -0.8207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1787 -0.1783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3776 0.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7350 -1.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2913 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2913 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7350 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0465 -0.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0465 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4902 -1.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 0.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8476 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2913 1.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7350 0.7852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2913 1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4037 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3776 -1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4037 0.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9037 1.3064 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 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 1 0 0 0 0
4 7 1 1 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
5 10 1 6 0 0 0
11 1 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 2 1 0 0 0 0
9 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 10 1 0 0 0 0
17 19 1 0 0 0 0
16 20 1 0 0 0 0
3 21 1 6 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -2.4037 0.4404
S SKP 8
ID FL6DPTNS0003
KNApSAcK_ID C00009041
NAME 7-O-Methylpeltogynol
CAS_RN 53766-33-9
FORMULA C17H16O6
EXACTMASS 316.094688244
AVERAGEMASS 316.30534
SMILES COc(c4)cc(O1)c(c4)[C@@H](O)[C@H](O3)[C@H]1c(c2)c(C3)cc(O)c(O)2
M END
