Mol:FLIA1ANI0001
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5574 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5574 -2.1852 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 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 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1ANI0001 | + | ID FLIA1ANI0001 |
| − | KNApSAcK_ID C00009432 | + | KNApSAcK_ID C00009432 |
| − | NAME Neobavaisoflavone | + | NAME Neobavaisoflavone |
| − | CAS_RN 41060-15-5 | + | CAS_RN 41060-15-5 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O | + | SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.0047 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0047 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8921 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4484 2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 0.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 1.2217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2205 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7766 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -0.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9662 0.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 1.2440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3358 0.2584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5610 -0.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5610 2.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -0.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -1.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9644 -1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3714 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 -2.1852 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 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 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
18 14 1 0 0 0 0
1 19 1 0 0 0 0
13 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
S SKP 8
ID FLIA1ANI0001
KNApSAcK_ID C00009432
NAME Neobavaisoflavone
CAS_RN 41060-15-5
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c3)(O1)c(ccc(O)3)C(C(c(c2)cc(c(O)c2)CC=C(C)C)=C1)=O
M END
