Mol:FL2FBANI0002
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 |
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| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
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| − | 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 21 26 1 1 0 0 0 | + | 21 26 1 1 0 0 0 |
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| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FBANI0002 | + | ID FL2FBANI0002 |
| − | KNApSAcK_ID C00014192 | + | KNApSAcK_ID C00014192 |
| − | NAME Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone | + | NAME Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone |
| − | CAS_RN 254886-74-3 | + | CAS_RN 254886-74-3 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES C(c(c(O)3)c(c(c(c3)OC)1)OC(c(c2)ccc(O)c2)CC(=O)1)C(C(C)=C)CC=C(C)C | + | SMILES C(c(c(O)3)c(c(c(c3)OC)1)OC(c(c2)ccc(O)c2)CC(=O)1)C(C(C)=C)CC=C(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/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.5279 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5093 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0632 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6583 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0567 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7477 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4591 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4796 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7678 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0474 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 -2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2424 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.0917 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3801 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0917 1.4303 0.0000 O 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 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 6 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
1 18 1 0 0 0 0
3 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 24 2 0 0 0 0
24 25 1 0 0 0 0
21 26 1 1 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
19 29 1 0 0 0 0
24 30 1 0 0 0 0
14 31 1 0 0 0 0
S SKP 8
ID FL2FBANI0002
KNApSAcK_ID C00014192
NAME Kushenol U;(2S)-7,4'-Dihydroxy-8-lavandulyl-5-methoxyflavanone
CAS_RN 254886-74-3
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES C(c(c(O)3)c(c(c(c3)OC)1)OC(c(c2)ccc(O)c2)CC(=O)1)C(C(C)=C)CC=C(C)C
M END
