Mol:FL6DPTNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8344 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8344 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8344 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8344 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2783 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2783 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2783 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2783 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3909 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3909 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3909 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3909 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3907 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3907 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9470 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9470 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9470 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9470 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3907 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3907 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5033 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5033 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9472 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9472 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9472 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9472 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3909 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3909 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8346 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8346 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5033 1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5033 1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2780 -1.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2780 -1.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5033 0.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5033 0.1429 0.0000 O 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 6 0 0 0 | + | 4 7 1 6 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 |
| − | 12 15 1 0 0 0 0 | + | 12 15 1 0 0 0 0 |
| − | 9 16 1 0 0 0 0 | + | 9 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 10 1 0 0 0 0 | + | 19 10 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 3 21 1 6 0 0 0 | + | 3 21 1 6 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DPTNS0005 | + | ID FL6DPTNS0005 |
| − | KNApSAcK_ID C00009044 | + | KNApSAcK_ID C00009044 |
| − | NAME Epimopanan-4alpha-ol | + | NAME Epimopanan-4alpha-ol |
| − | CAS_RN 127644-67-1 | + | CAS_RN 127644-67-1 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES Oc(c4)cc(O1)c(c4)C(O)C(O3)C1c(c2)c(C3)c(O)c(O)c2 | + | SMILES Oc(c4)cc(O1)c(c4)C(O)C(O3)C1c(c2)c(C3)c(O)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-0.8344 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8344 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2783 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9470 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9470 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3907 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5033 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9472 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9472 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3909 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2780 -1.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5033 0.1429 0.0000 O 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 6 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
12 15 1 0 0 0 0
9 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 10 1 0 0 0 0
17 20 1 0 0 0 0
3 21 1 6 0 0 0
16 22 1 0 0 0 0
S SKP 8
ID FL6DPTNS0005
KNApSAcK_ID C00009044
NAME Epimopanan-4alpha-ol
CAS_RN 127644-67-1
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES Oc(c4)cc(O1)c(c4)C(O)C(O3)C1c(c2)c(C3)c(O)c(O)c2
M END
