Mol:FL1CBANP0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -3.6214 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6214 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6214 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1924 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1924 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9069 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9069 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3358 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3358 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4779 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4779 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0944 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0944 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6655 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6655 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3799 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3799 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0490 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0490 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7635 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7635 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5234 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5234 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5234 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5234 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8089 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8089 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8055 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8055 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3358 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3358 0.5004 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 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 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 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 15 1 0 0 0 0 | + | 24 15 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CBANP0002 | + | ID FL1CBANP0002 |
| − | KNApSAcK_ID C00014477 | + | KNApSAcK_ID C00014477 |
| − | NAME Isodehydrocycloxanthohumol hydrate;6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone | + | NAME Isodehydrocycloxanthohumol hydrate;6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone |
| − | CAS_RN 250603-94-2 | + | CAS_RN 250603-94-2 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c2C(=O)C=Cc(c3)ccc(O)c3)cc(c(c2O)1)OC(CC1)(C)C | + | SMILES COc(c2C(=O)C=Cc(c3)ccc(O)c3)cc(c(c2O)1)OC(CC1)(C)C |
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 28 0 0 0 0 0 0 0 0999 V2000
-3.6214 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6214 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1924 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9069 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3358 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4779 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0944 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 1.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6655 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3799 -1.4189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0490 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -0.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 -0.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5234 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 1.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 1.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3358 0.5004 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
1 7 1 0 0 0 0
4 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 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
13 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 15 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FL1CBANP0002
KNApSAcK_ID C00014477
NAME Isodehydrocycloxanthohumol hydrate;6'',6''-Dimethyl-4'',5''-dihydropyrano[2'',3'':4',3']-4,2'-dihydroxy-6'-methoxychalcone
CAS_RN 250603-94-2
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c2C(=O)C=Cc(c3)ccc(O)c3)cc(c(c2O)1)OC(CC1)(C)C
M END
