C30H47O4
APtclcactv03241713332D 0   0.00000     0.00000
 
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M  CHG  1  33  -1
M  END
> <UNIQUE_SMILES>
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1)C([O-])=O

> <USER_SUPPLIED_SMILES>
CC5(CCC4(CCC1(C(=CCC2(C1(CCC3(C2(CCC(C3(C)CO)O)C))C))C4C5)C)C(=O)[O-])C

$$$$
