Mol:FL2FALNP0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5393 0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5393 0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5208 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5208 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2564 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2564 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9112 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9112 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9254 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9254 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1997 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1997 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6662 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6662 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3400 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3400 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3307 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3307 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6469 0.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6469 0.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0452 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0452 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7363 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7363 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4437 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4437 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4726 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4726 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7564 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7564 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0360 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0360 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6662 -1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6662 -1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2564 -1.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2564 -1.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1692 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1692 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6004 1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6004 1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3395 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3395 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3090 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3090 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7363 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7363 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0449 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0449 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1014 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1014 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8469 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8469 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6583 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6583 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4447 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4447 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4447 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4447 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0449 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0449 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0701 0.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0701 0.9980 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 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 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNP0022 | + | ID FL2FALNP0022 |
| − | KNApSAcK_ID C00014247 | + | KNApSAcK_ID C00014247 |
| − | NAME Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone | + | NAME Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone |
| − | CAS_RN 329319-20-2 | + | CAS_RN 329319-20-2 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES Oc(c1)c(C(C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)ccc(O)1 | + | SMILES Oc(c1)c(C(C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)ccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.5393 0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5208 -0.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2564 -1.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9112 -0.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9254 0.1766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1997 0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 -1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3400 -0.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3307 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6469 0.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0452 0.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7363 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4437 0.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4726 1.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7564 1.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0360 1.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 -1.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2564 -1.8978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1692 1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6004 1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3395 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 0.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7363 -0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0449 1.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 1.8597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8469 1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6583 1.8978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4447 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4447 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0449 1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0701 0.9980 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 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
3 18 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
12 23 1 0 0 0 0
14 24 1 0 0 0 0
21 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 29 1 0 0 0 0
28 30 1 0 0 0 0
21 31 1 0 0 0 0
S SKP 8
ID FL2FALNP0022
KNApSAcK_ID C00014247
NAME Sanggenol L;5,2'.4'-Trihydroxy-6''-methyl-6''-(4-methylpent-3-enyl)-pyrano[2'',3'':7,8]flavanone
CAS_RN 329319-20-2
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES Oc(c1)c(C(C4)Oc(c(C4=O)3)c(C=2)c(cc3O)OC(C)(C2)CCC=C(C)C)ccc(O)1
M END
