Mol:FL6F1CNS0002
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 |
| − | -1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1101 2.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1101 2.3187 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 1.6687 1.4214 | + | M SVB 1 21 1.6687 1.4214 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNS0002 | + | ID FL6F1CNS0002 |
| − | KNApSAcK_ID C00008759 | + | KNApSAcK_ID C00008759 |
| − | NAME 7,4'-Dihydroxy-3'-methoxyflavan | + | NAME 7,4'-Dihydroxy-3'-methoxyflavan |
| − | CAS_RN 95587-88-5 | + | CAS_RN 95587-88-5 |
| − | FORMULA C16H16O4 | + | FORMULA C16H16O4 |
| − | EXACTMASS 272.104859 | + | EXACTMASS 272.104859 |
| − | AVERAGEMASS 272.29584 | + | AVERAGEMASS 272.29584 |
| − | SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c2)c(ccc(O)2)C1 | + | SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c2)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/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.4578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.2941 -0.1367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1101 2.3187 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
1 17 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 1.6687 1.4214
S SKP 8
ID FL6F1CNS0002
KNApSAcK_ID C00008759
NAME 7,4'-Dihydroxy-3'-methoxyflavan
CAS_RN 95587-88-5
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c(O)3)cc(cc3)[C@H](C1)Oc(c2)c(ccc(O)2)C1
M END
