Mol:FL2FA8NI0007
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 |
| − | -1.2219 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2219 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2033 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2033 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4261 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4261 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2287 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2287 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2429 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2429 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4828 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4828 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9836 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9836 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6574 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6574 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6482 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6482 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9643 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9643 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3627 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3627 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0538 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0538 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7651 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7651 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7856 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7856 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0739 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0739 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3535 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3535 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9836 -2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9836 -2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9363 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9363 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4261 -2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4261 -2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4828 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4828 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2531 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2531 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9056 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9056 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5389 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5389 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2387 1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2387 1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7856 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7856 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2531 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2531 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7088 2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7088 2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8228 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8228 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0538 -0.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0538 -0.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0741 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0741 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2387 0.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2387 0.3761 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 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 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 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 19 30 1 0 0 0 0 | + | 19 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA8NI0007 | + | ID FL2FA8NI0007 |
| − | KNApSAcK_ID C00014191 | + | KNApSAcK_ID C00014191 |
| − | NAME Kushenol R;(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone | + | NAME Kushenol R;(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone |
| − | CAS_RN 254886-71-0 | + | CAS_RN 254886-71-0 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES c(c12)(OC)cc(O)c(c(OC(c(c3)c(ccc3)O)CC2=O)1)CC(C(C)=C)CC=C(C)C | + | SMILES c(c12)(OC)cc(O)c(c(OC(c(c3)c(ccc3)O)CC2=O)1)CC(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
-1.2219 -0.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2033 -1.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 -1.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2287 -1.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2429 -0.1893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 0.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9836 -1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6574 -1.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6482 -0.1724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9643 0.2109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3627 0.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0538 -0.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7651 0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7856 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0739 1.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3535 1.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9836 -2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9363 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4261 -2.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4828 1.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9056 1.1050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5389 1.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2387 1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7856 1.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2531 2.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7088 2.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8228 2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0538 -0.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0741 -2.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2387 0.3761 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 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
12 29 1 0 0 0 0
19 30 1 0 0 0 0
24 31 1 0 0 0 0
S SKP 8
ID FL2FA8NI0007
KNApSAcK_ID C00014191
NAME Kushenol R;(2S)-7,2'-Dihydroxy-8-lavandulyl-5-methoxyflavanone
CAS_RN 254886-71-0
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES c(c12)(OC)cc(O)c(c(OC(c(c3)c(ccc3)O)CC2=O)1)CC(C(C)=C)CC=C(C)C
M END
