Mol:FL6F1ANS0003
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 |
| − | -2.0624 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0624 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0624 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9498 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9498 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5061 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5061 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1628 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1628 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3935 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3935 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8528 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8528 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7189 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7189 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4197 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4197 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9197 1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9197 1.3150 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 |
| − | 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 |
| − | 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.4197 0.449 | + | M SVB 1 20 -2.4197 0.449 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1ANS0003 | + | ID FL6F1ANS0003 |
| − | KNApSAcK_ID C00008752 | + | KNApSAcK_ID C00008752 |
| − | NAME 4'-Hydroxy-7-methoxyflavan | + | NAME 4'-Hydroxy-7-methoxyflavan |
| − | CAS_RN 27348-54-5 | + | CAS_RN 27348-54-5 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES COc(c3)cc(O1)c(c3)CC[C@H]1c(c2)ccc(O)c2 | + | SMILES COc(c3)cc(O1)c(c3)CC[C@H]1c(c2)ccc(O)c2 |
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
-2.0624 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0624 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9498 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5061 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3935 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1628 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3935 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9197 1.3150 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
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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.4197 0.449
S SKP 8
ID FL6F1ANS0003
KNApSAcK_ID C00008752
NAME 4'-Hydroxy-7-methoxyflavan
CAS_RN 27348-54-5
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c3)cc(O1)c(c3)CC[C@H]1c(c2)ccc(O)c2
M END
