Mol:FL4DAANF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6670 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6670 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1461 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1461 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6253 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6253 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6253 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6253 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1461 0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1461 0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6670 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6670 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1044 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1044 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4165 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4165 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4165 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4165 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1044 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1044 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9369 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9369 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1044 -1.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1044 -1.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4712 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4712 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0056 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0056 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0056 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0056 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4712 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4712 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9369 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9369 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9369 -0.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9369 -0.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5391 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5391 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1461 -1.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1461 -1.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2712 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2712 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8694 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8694 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1140 0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1140 0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0590 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0590 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5391 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5391 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9557 1.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9557 1.5845 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 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 6 1 0 0 0 0 | + | 23 6 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANF0002 | + | ID FL4DAANF0002 |
| − | KNApSAcK_ID C00008618 | + | KNApSAcK_ID C00008618 |
| − | NAME 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone | + | NAME 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone |
| − | CAS_RN 124901-84-8 | + | CAS_RN 124901-84-8 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)3)c(c(c2c3)CC(O2)C(C)=C)1)=O)O | + | SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)3)c(c(c2c3)CC(O2)C(C)=C)1)=O)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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.6670 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 0.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6670 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 -0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4165 -0.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4165 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 0.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1044 -1.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 -0.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 0.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4712 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9369 -0.9834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5391 1.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1461 -1.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2712 0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8694 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1140 0.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0590 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5391 1.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9557 1.5845 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 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 0 0 0 0
15 19 1 0 0 0 0
2 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 6 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
S SKP 8
ID FL4DAANF0002
KNApSAcK_ID C00008618
NAME 3,5,4'-Trihydroxy-4'',5'',dihydro-5''-isopropenylfurano[2'',3'':7,8]flavanone
CAS_RN 124901-84-8
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c4)c(ccc(O)4)C(O1)C(C(c(c(O)3)c(c(c2c3)CC(O2)C(C)=C)1)=O)O
M END
