Mol:FL4D1ANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.6419 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 -0.0379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6419 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5583 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -0.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0792 -1.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 -0.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4964 0.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0380 0.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1623 -0.0382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.1210 0.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 0.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6414 1.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1617 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1210 1.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 0.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5642 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0977 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1623 -0.0382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6300 -0.9601 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
8 19 1 1 0 0 0
5 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
15 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL4D1ANI0001
KNApSAcK_ID C00008611
NAME 3-Hydroxyglabrol
CAS_RN 74148-41-7
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(=C(C)C)Cc(c3O)c(c(cc3)2)OC(C(C2=O)O)c(c1)cc(CC=C(C)C)c(c1)O
M END
