Mol:FL6D3CNS0002
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 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4460 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4460 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3459 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3459 1.7816 0.0000 O 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 1 6 0 0 0 | + | 7 17 1 6 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6D3CNS0002 | + | ID FL6D3CNS0002 |
| − | KNApSAcK_ID C00009010 | + | KNApSAcK_ID C00009010 |
| − | NAME Epimesquitol-4alpha-ol | + | NAME Epimesquitol-4alpha-ol |
| − | CAS_RN 38081-16-2 | + | CAS_RN 38081-16-2 |
| − | FORMULA C15H14O7 | + | FORMULA C15H14O7 |
| − | EXACTMASS 306.073952802 | + | EXACTMASS 306.073952802 |
| − | AVERAGEMASS 306.26746 | + | AVERAGEMASS 306.26746 |
| − | SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(O)c(c2)c1c(O)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(O)c(c2)c1c(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 24 0 0 0 0 0 0 0 0999 V2000
-2.0023 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0023 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8897 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2229 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3334 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4797 0.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4797 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7790 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 0.7873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3459 1.7816 0.0000 O 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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 1 6 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
8 20 1 6 0 0 0
6 21 1 0 0 0 0
15 22 1 0 0 0 0
S SKP 8
ID FL6D3CNS0002
KNApSAcK_ID C00009010
NAME Epimesquitol-4alpha-ol
CAS_RN 38081-16-2
FORMULA C15H14O7
EXACTMASS 306.073952802
AVERAGEMASS 306.26746
SMILES Oc(c3)c(O)cc(c3)C(O1)C(O)C(O)c(c2)c1c(O)c(O)c2
M END
