Mol:FL6F1LNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2827 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2827 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2827 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1701 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1701 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7264 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7264 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0575 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.0575 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.6138 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6138 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6325 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6325 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0655 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0655 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4986 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4986 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6400 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6400 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2552 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2552 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0682 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0682 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6400 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6400 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1400 1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1400 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 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.64 0.449 | + | M SVB 1 24 -2.64 0.449 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1LNS0001 | + | ID FL6F1LNS0001 |
| − | KNApSAcK_ID C00008774 | + | KNApSAcK_ID C00008774 |
| − | NAME 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan | + | NAME 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan |
| − | CAS_RN 95587-89-6 | + | CAS_RN 95587-89-6 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c4)cc(O1)c(c4)CC[C@H]1c(c2)c(O)cc(O3)c(OC3)2 | + | SMILES COc(c4)cc(O1)c(c4)CC[C@H]1c(c2)c(O)cc(O3)c(OC3)2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.2827 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2827 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1701 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7264 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6138 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0575 -0.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.6138 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6325 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0655 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4986 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6400 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0682 1.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6400 0.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1400 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
13 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 14 1 0 0 0 0
16 20 1 0 0 0 0
1 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 24
M SMT 1 OCH3
M SVB 1 24 -2.64 0.449
S SKP 8
ID FL6F1LNS0001
KNApSAcK_ID C00008774
NAME 2'-Hydroxy-7-methoxy-4',5'-methylenedioxyflavan
CAS_RN 95587-89-6
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c4)cc(O1)c(c4)CC[C@H]1c(c2)c(O)cc(O3)c(OC3)2
M END
