Mol:FL6F1ANM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7719 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7719 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7719 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7710 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7710 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3075 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3075 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2705 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2705 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7588 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7588 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2444 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2444 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7301 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7301 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2299 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2299 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2720 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2720 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2720 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2720 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2714 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2714 0.7201 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 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 0 0 0 0 | + | 9 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 |
| − | 9 17 1 1 0 0 0 | + | 9 17 1 1 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1ANM0001 | + | ID FL6F1ANM0001 |
| − | KNApSAcK_ID C00000953 | + | KNApSAcK_ID C00000953 |
| − | NAME 7,4'-Dihydroxy-8-methylflavan | + | NAME 7,4'-Dihydroxy-8-methylflavan |
| − | CAS_RN 75412-98-5 | + | CAS_RN 75412-98-5 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1 | + | SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.7719 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7719 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7710 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2705 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7588 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2444 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2299 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2720 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2714 0.7201 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 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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 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
9 17 1 1 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
6 20 1 0 0 0 0
S SKP 8
ID FL6F1ANM0001
KNApSAcK_ID C00000953
NAME 7,4'-Dihydroxy-8-methylflavan
CAS_RN 75412-98-5
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES Oc(c3)ccc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1
M END
