Mol:FL1ABENM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.1710 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1710 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1710 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1710 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4565 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4565 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4565 1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4565 1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7421 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7421 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7421 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7421 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0278 1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0278 1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3117 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3117 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3123 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3123 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2711 -0.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2711 -0.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4028 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4028 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1175 0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1175 0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1175 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1175 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 -0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 -0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5464 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5464 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5462 0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5462 0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8317 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8317 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8855 1.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8855 1.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 -1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 -1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4565 -0.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4565 -0.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1342 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1342 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2845 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2845 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8855 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8855 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8650 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8650 -0.2717 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 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 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1ABENM0001 | + | ID FL1ABENM0001 |
| − | KNApSAcK_ID C00014656 | + | KNApSAcK_ID C00014656 |
| − | NAME 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone | + | NAME 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone |
| − | CAS_RN 193552-54-4 | + | CAS_RN 193552-54-4 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES o(c2=Cc(c3)cc(O)c(OC)c3)c(c1c2=O)cc(c(c1OC)C)O | + | SMILES o(c2=Cc(c3)cc(O)c(OC)c3)c(c1c2=O)cc(c(c1OC)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-3.1710 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1710 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4565 -0.2835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4565 1.3665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7421 0.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7421 0.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0278 1.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3117 0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3123 0.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2711 -0.4545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4028 1.3657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1175 0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1175 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -0.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5464 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5462 0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8317 1.3652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8855 1.3665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 -1.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4565 -0.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1342 -1.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2845 -0.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8855 0.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8650 -0.2717 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
S SKP 8
ID FL1ABENM0001
KNApSAcK_ID C00014656
NAME 6,3'-Dihydroxy-4,4'-dimethoxy-5-methylaurone
CAS_RN 193552-54-4
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES o(c2=Cc(c3)cc(O)c(OC)c3)c(c1c2=O)cc(c(c1OC)C)O
M END
