Mol:FLIC1LNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1826 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1826 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 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 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNS0004 | + | ID FLIC1LNS0004 |
| − | KNApSAcK_ID C00009708 | + | KNApSAcK_ID C00009708 |
| − | NAME Demethylvestitol;7,2',4'-Trihydroxyisoflavan | + | NAME Demethylvestitol;7,2',4'-Trihydroxyisoflavan |
| − | CAS_RN 65332-45-8 | + | CAS_RN 65332-45-8 |
| − | FORMULA C15H14O4 | + | FORMULA C15H14O4 |
| − | EXACTMASS 258.089208936 | + | EXACTMASS 258.089208936 |
| − | AVERAGEMASS 258.26926000000003 | + | AVERAGEMASS 258.26926000000003 |
| − | SMILES Oc(c3)cc(O)c(c3)C(C2)Cc(c1)c(O2)cc(O)c1 | + | SMILES Oc(c3)cc(O)c(c3)C(C2)Cc(c1)c(O2)cc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1826 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 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
1 2 1 0 0 0 0
14 17 1 0 0 0 0
1 18 1 0 0 0 0
12 19 1 0 0 0 0
S SKP 8
ID FLIC1LNS0004
KNApSAcK_ID C00009708
NAME Demethylvestitol;7,2',4'-Trihydroxyisoflavan
CAS_RN 65332-45-8
FORMULA C15H14O4
EXACTMASS 258.089208936
AVERAGEMASS 258.26926000000003
SMILES Oc(c3)cc(O)c(c3)C(C2)Cc(c1)c(O2)cc(O)c1
M END
