Mol:FLID1ANP0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5856 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5856 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5856 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5856 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0293 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0293 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4730 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4730 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0293 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0293 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9167 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9167 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3604 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3604 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3604 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3604 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9167 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9167 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1957 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1957 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7904 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7904 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3852 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3852 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3852 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3852 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7904 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7904 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9150 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9150 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1417 1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1417 1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9800 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9800 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5748 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5748 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5748 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5748 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9800 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9800 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5748 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5748 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1417 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1417 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANP0006 | + | ID FLID1ANP0006 |
| − | KNApSAcK_ID C00010002 | + | KNApSAcK_ID C00010002 |
| − | NAME Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan | + | NAME Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan |
| − | CAS_RN 998755-24-9 | + | CAS_RN 998755-24-9 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES C(c35)(C(Oc3cc(c4c5)OC(C=C4)(C)C)1)COc(c2)c1ccc(O)2 | + | SMILES C(c35)(C(Oc3cc(c4c5)OC(C=C4)(C)C)1)COc(c2)c1ccc(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 28 0 0 0 0 0 0 0 0999 V2000
-2.5856 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5856 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0293 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4730 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0293 1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9167 0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3604 1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9167 1.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1957 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 -0.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3852 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7904 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 -0.6448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1417 1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 -0.9884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9800 0.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5748 -1.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1417 -0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 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 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 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FLID1ANP0006
KNApSAcK_ID C00010002
NAME Isoneorautenol;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan
CAS_RN 998755-24-9
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES C(c35)(C(Oc3cc(c4c5)OC(C=C4)(C)C)1)COc(c2)c1ccc(O)2
M END
