131752241
  CDK     0427212324

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.0929   -2.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654    1.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028    1.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4028    0.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    1.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    1.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504    0.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6654   -0.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -0.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071    2.6921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821    2.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    1.5319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -0.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364   -1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508   -2.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219   -2.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -1.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0 
  2 22  2  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  3 11  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 14  1  0  0  0  0 
  5 15  1  0  0  0  0 
  6 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
  7 10  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 16  1  0  0  0  0 
 12 16  2  0  0  0  0 
 12 18  1  0  0  0  0 
 13 17  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 19 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:170110

> <NAME>
7,13-Eperudien-15-oic acid

> <STAR>
2

> <IUPAC_NAME>
(Z)-5-(2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-2-enoic acid

> <FORMULA>
C20H32O2

> <MASS>
304.474

> <MONOISOTOPIC_MASS>
304.24023

> <CHARGE>
0

> <SMILES>
OC(=O)/C=C(\CCC1C2(C(C(CCC2)(C)C)CC=C1C)C)/C

> <INCHI>
InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h8,13,16-17H,6-7,9-12H2,1-5H3,(H,21,22)/b14-13-

> <INCHIKEY>
YUYHINCTHBQFIT-YPKPFQOOSA-N

$$$$