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Xyloketal B Acid
FEATURES
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NAMES
  • Xyloketal B Acid
SMILES
C[C@H]1CO[C@]2(C)Oc3c(c(O)c(C(=O)O)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12
InChI
InChI=1S/C21H26O7/c1-9-7-25-20(3)13(9)5-11-16(22)15(19(23)24)18-12(17(11)27-20)6-14-10(2)8-26-21(14,4)28-18/h9-10,13-14,22H,5-8H2,1-4H3,(H,23,24)/t9-,10-,13+,14+,20+,21+/m0/s1
MOLECULAR FORMULA
C21H26O7
CROSS REFERENCES
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Xyloketal B Acid

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 390.17
AlogP 2.96
HBond donors 2
HBond acceptors 7
Atoms 54
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Xyloketal B Acid.