Mol:FLIC1LNF0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7225 -0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7225 -0.6206 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 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 |
| − | 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNF0002 | + | ID FLIC1LNF0002 |
| − | KNApSAcK_ID C00010034 | + | KNApSAcK_ID C00010034 |
| − | NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan | + | NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan |
| − | CAS_RN 121747-87-3 | + | CAS_RN 121747-87-3 |
| − | FORMULA C20H22O4 | + | FORMULA C20H22O4 |
| − | EXACTMASS 326.151809192 | + | EXACTMASS 326.151809192 |
| − | AVERAGEMASS 326.38628 | + | AVERAGEMASS 326.38628 |
| − | SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1 | + | SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.4672 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4672 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3546 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9109 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7580 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2017 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3141 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5036 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 0.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0978 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4557 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0782 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0978 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4433 -0.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7225 -0.6206 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 1 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FLIC1LNF0002
KNApSAcK_ID C00010034
NAME Cyclomillinol;(3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan
CAS_RN 121747-87-3
FORMULA C20H22O4
EXACTMASS 326.151809192
AVERAGEMASS 326.38628
SMILES c(c1)(C(C4)Cc(c(O4)3)cc(c2c3)C(C(C)O2)(C)C)c(O)cc(O)c1
M END
