Mol:FLIAAANP0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.6178 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6178 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6178 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6178 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5052 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5052 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5052 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5052 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9489 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9489 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3926 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3926 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3926 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3926 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9489 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9489 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1635 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1635 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1635 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1635 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3531 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3531 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3531 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3531 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7583 -0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7583 -0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9489 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9489 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9473 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9473 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9473 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9473 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5415 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5415 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5415 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5415 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5415 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5415 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1739 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1739 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6176 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6176 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6176 1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6176 1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0615 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0615 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1737 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1737 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1739 0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1739 0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 21 1 0 0 0 0 | + | 22 21 1 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 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANP0011 | + | ID FLIAAANP0011 |
| − | KNApSAcK_ID C00009935 | + | KNApSAcK_ID C00009935 |
| − | NAME Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone | + | NAME Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone |
| − | CAS_RN 128988-20-5 | + | CAS_RN 128988-20-5 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES Oc(c12)cc(c(c1OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C2=O)CC=C(C)C)O | + | SMILES Oc(c12)cc(c(c1OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C2=O)CC=C(C)C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.6178 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6178 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5052 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 0.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9489 -0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 -0.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 0.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9489 0.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1635 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -1.9617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3531 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3531 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7583 -0.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9489 -1.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 -1.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -0.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 -1.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 0.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6176 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6176 1.9584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0615 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1737 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1739 0.3530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
3 17 1 0 0 0 0
7 18 2 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
19 21 2 0 0 0 0
20 22 1 0 0 0 0
22 21 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
S SKP 8
ID FLIAAANP0011
KNApSAcK_ID C00009935
NAME Ulexone A;5,7-Dihydroxy-8-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone
CAS_RN 128988-20-5
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES Oc(c12)cc(c(c1OC=C(c(c3)ccc(O4)c3C=CC4(C)C)C2=O)CC=C(C)C)O
M END
