Mol:FL4DA8NP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4562 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4562 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4650 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4650 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0366 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0366 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0253 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0253 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6765 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6765 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3946 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3946 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7522 -2.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7522 -2.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4669 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4669 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8936 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8936 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0168 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0168 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1645 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1645 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8817 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8817 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8817 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8817 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1645 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1645 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5595 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5595 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8333 -1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8333 -1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1014 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1014 -2.2812 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 3 1 0 0 0 0 | + | 28 3 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | 18 32 1 0 0 0 0 | + | 18 32 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NP0002 | + | ID FL4DA8NP0002 |
| − | KNApSAcK_ID C00014396 | + | KNApSAcK_ID C00014396 |
| − | NAME (3R)-3-Methoxyminimiflorin;5,2'-Dihydroxy-3-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone | + | NAME (3R)-3-Methoxyminimiflorin;5,2'-Dihydroxy-3-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone |
| − | CAS_RN 259812-80-1 | + | CAS_RN 259812-80-1 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES O(C(C)(C)4)c(c(CC=C(C)C)1)c(C=C4)c(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)C2OC | + | SMILES O(C(C)(C)4)c(c(CC=C(C)C)1)c(C=C4)c(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)C2OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.4562 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7361 0.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4650 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 -1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0366 -1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0253 -0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3946 -1.1603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4014 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6947 0.0829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1232 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1321 0.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8512 1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5595 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5532 0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8333 -0.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6616 -2.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -1.5857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7522 -2.2815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7361 0.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 2.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8936 2.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0168 2.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1645 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -0.3037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8817 -1.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1645 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3858 0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5595 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8333 -1.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1014 -2.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
8 18 1 1 0 0 0
4 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 3 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
16 31 1 0 0 0 0
18 32 1 0 0 0 0
S SKP 8
ID FL4DA8NP0002
KNApSAcK_ID C00014396
NAME (3R)-3-Methoxyminimiflorin;5,2'-Dihydroxy-3-methoxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':7,6]flavanone
CAS_RN 259812-80-1
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES O(C(C)(C)4)c(c(CC=C(C)C)1)c(C=C4)c(O)c(C(=O)2)c1OC(c(c(O)3)cccc3)C2OC
M END
