Mol:FL1CA9NP0010
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 |
| − | -2.1647 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1647 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1647 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1647 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7358 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7358 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7358 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7358 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0213 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0213 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0213 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0213 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6932 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6932 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4076 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4076 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1221 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1221 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8366 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8366 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5511 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5511 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5511 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5511 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8366 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8366 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1221 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1221 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0678 0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0678 0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0375 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0375 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4502 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4502 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1647 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1647 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8792 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8792 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8792 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8792 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1647 2.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1647 2.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2965 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2965 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5511 1.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5511 1.0798 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 1 1 0 0 0 0 | + | 23 1 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0010 | + | ID FL1CA9NP0010 |
| − | KNApSAcK_ID C00014445 | + | KNApSAcK_ID C00014445 |
| − | NAME 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone | + | NAME 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone |
| − | CAS_RN 554408-29-6 | + | CAS_RN 554408-29-6 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C)(C)C(O)C1 | + | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C)(C)C(O)C1 |
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
-2.1647 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7358 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0213 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0213 -2.0402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6932 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4076 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 -1.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 -0.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5511 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8366 0.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1221 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 -1.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0678 0.4080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0375 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4502 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8792 1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8792 0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1647 2.3161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2965 1.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5511 1.0798 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
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 1 1 0 0 0 0
21 24 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
S SKP 8
ID FL1CA9NP0010
KNApSAcK_ID C00014445
NAME 2'-Methoxyhelikrausichalcone;6'',6''-Dimethyl-5''-hydroxy-4'',5''-dihydropyrano[2'',3'':4',3']-2'-hydroxy-6'-methoxychalcone
CAS_RN 554408-29-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C)(C)C(O)C1
M END
