Mol:FL6F1CNM0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9148 -0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9148 -0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6286 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6286 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6292 0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6292 0.6201 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 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 23 -6.7371 4.1099 | + | M SBV 1 23 -6.7371 4.1099 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNM0001 | + | ID FL6F1CNM0001 |
| − | KNApSAcK_ID C00000952 | + | KNApSAcK_ID C00000952 |
| − | NAME 7,3'-Dihydroxy-4'-methoxy-8-methylflavan | + | NAME 7,3'-Dihydroxy-4'-methoxy-8-methylflavan |
| − | CAS_RN 87733-81-1 | + | CAS_RN 87733-81-1 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c3)c(O)cc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1 | + | SMILES COc(c3)c(O)cc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1 |
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
-2.1291 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1291 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1282 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6647 -1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.7242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 -0.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6277 0.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 -0.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4015 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8872 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3728 0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1273 0.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6292 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 -0.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6286 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9148 1.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.6201 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
13 19 1 0 0 0 0
6 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SBV 1 23 -6.7371 4.1099
S SKP 8
ID FL6F1CNM0001
KNApSAcK_ID C00000952
NAME 7,3'-Dihydroxy-4'-methoxy-8-methylflavan
CAS_RN 87733-81-1
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)c(O)cc(c3)C([H])(C1)Oc(c(C)2)c(ccc(O)2)C1
M END
