Mol:FL1DEANI0002
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.4513 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4513 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4513 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4513 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9161 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9161 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3808 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3808 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3808 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3808 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9161 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9161 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8838 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8838 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4194 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4194 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9550 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9550 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4918 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4918 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9550 -0.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9550 -0.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4918 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4918 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0082 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0082 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4753 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4753 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4753 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4753 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0082 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0082 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0082 -0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0082 -0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9588 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9588 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8452 0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8452 0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9752 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9752 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9588 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9588 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4410 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4410 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9233 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9233 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4044 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4044 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9233 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9233 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0082 1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0082 1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4044 -0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4044 -0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8855 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8855 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3653 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3653 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8452 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8452 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3653 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3653 -1.5308 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 13 26 1 0 0 0 0 | + | 13 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DEANI0002 | + | ID FL1DEANI0002 |
| − | KNApSAcK_ID C00008023 | + | KNApSAcK_ID C00008023 |
| − | NAME 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone | + | NAME 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone |
| − | CAS_RN 76015-51-5 | + | CAS_RN 76015-51-5 |
| − | FORMULA C25H30O6 | + | FORMULA C25H30O6 |
| − | EXACTMASS 426.204238692 | + | EXACTMASS 426.204238692 |
| − | AVERAGEMASS 426.5021 | + | AVERAGEMASS 426.5021 |
| − | SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C | + | SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)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/
31 32 0 0 0 0 0 0 0 0999 V2000
2.4513 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4513 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9161 -0.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3808 0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3808 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9161 0.9201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8838 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4194 0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4918 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9550 -0.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4918 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 0.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4753 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 -0.7024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8452 0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9752 0.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4410 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9233 -0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4044 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9233 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0082 1.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4044 -0.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8855 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3653 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8452 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3653 -1.5308 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
12 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
13 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
S SKP 8
ID FL1DEANI0002
KNApSAcK_ID C00008023
NAME 4,2',3',4',6'-Pentahydroxy-5'-neryldihydrochalcone
CAS_RN 76015-51-5
FORMULA C25H30O6
EXACTMASS 426.204238692
AVERAGEMASS 426.5021
SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C
M END
