Mol:FL4DBANP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.0709 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0709 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7998 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7998 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0870 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0870 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3714 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3714 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3599 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3599 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7884 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7884 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7973 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7973 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5164 1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5164 1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2247 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2247 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2184 0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2184 0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4985 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4985 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3268 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3268 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7666 -1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7666 -1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0870 -2.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0870 -2.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0709 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0709 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8017 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8017 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8017 2.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8017 2.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2284 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2284 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3516 2.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3516 2.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.8943 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8943 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8943 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8943 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 3 1 0 0 0 0 | + | 28 3 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 19 32 1 0 0 0 0 | + | 19 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DBANP0001 | + | ID FL4DBANP0001 |
| − | KNApSAcK_ID C00014395 | + | KNApSAcK_ID C00014395 |
| − | NAME 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 234429-78-8 | + | CAS_RN 234429-78-8 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES Oc(c1)ccc(C(C(O)4)Oc(c3C(=O)4)c(c(c(c3OC)2)OC(C=C2)(C)C)CC=C(C)C)c1 | + | SMILES Oc(c1)ccc(C(C(O)4)Oc(c3C(=O)4)c(c(c(c3OC)2)OC(C=C2)(C)C)CC=C(C)C)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.7910 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0709 0.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7998 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0870 -1.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3714 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3601 -0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3417 -1.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0598 -1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0666 -0.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3599 0.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7884 0.1994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7973 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5164 1.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2247 1.0115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2184 0.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4985 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3268 -2.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7666 -1.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0870 -2.1460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0709 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 1.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8017 2.1964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2284 2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3516 2.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4993 0.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 -0.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2165 -0.9913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4993 -1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7206 0.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8943 -0.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8943 1.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7475 -2.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 0 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
7 17 2 0 0 0 0
8 18 1 0 0 0 0
4 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 3 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
14 31 1 0 0 0 0
19 32 1 0 0 0 0
S SKP 8
ID FL4DBANP0001
KNApSAcK_ID C00014395
NAME 3,4'-Dihydroxy-5-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 234429-78-8
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES Oc(c1)ccc(C(C(O)4)Oc(c3C(=O)4)c(c(c(c3OC)2)OC(C=C2)(C)C)CC=C(C)C)c1
M END
