Mol:FL6F1CNS0005
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 20 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3546 1.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3546 1.0083 0.0000 O 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNS0005 | + | ID FL6F1CNS0005 |
| − | KNApSAcK_ID C00008773 | + | KNApSAcK_ID C00008773 |
| − | NAME 7-Hydroxy-3',4'-methylenedioxyflavan | + | NAME 7-Hydroxy-3',4'-methylenedioxyflavan |
| − | CAS_RN 95519-19-0 | + | CAS_RN 95519-19-0 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES Oc(c4)cc(O1)c(c4)CCC1c(c2)cc(O3)c(OC3)c2 | + | SMILES Oc(c4)cc(O1)c(c4)CCC1c(c2)cc(O3)c(OC3)c2 |
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 23 0 0 0 0 0 0 0 0999 V2000
-2.1833 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1833 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0707 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6270 0.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 -1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0419 -0.1698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5144 0.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 -0.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1650 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5980 0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7394 0.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 -0.0510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7394 0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 1.0083 0.0000 O 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
13 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
S SKP 8
ID FL6F1CNS0005
KNApSAcK_ID C00008773
NAME 7-Hydroxy-3',4'-methylenedioxyflavan
CAS_RN 95519-19-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES Oc(c4)cc(O1)c(c4)CCC1c(c2)cc(O3)c(OC3)c2
M END
