Chemical Component Summary

Name(1R,4R,5R)-1,4,5-trihydroxy-3-[(1S)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
Identifiers(1R,4R,5R)-1,4,5-tris(oxidanyl)-3-[(1S)-1-oxidanyl-2-phenyl-ethyl]cyclohex-2-ene-1-carboxylic acid
FormulaC15 H18 O6
Molecular Weight294.3
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C[C@@H](C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)O)O)O
InChIInChI=1S/C15H18O6/c16-11(6-9-4-2-1-3-5-9)10-7-15(21,14(19)20)8-12(17)13(10)18/h1-5,7,11-13,16-18,21H,6,8H2,(H,19,20)/t11-,12+,13+,15-/m0/s1
InChIKeyTUXIFONUTATTJM-JLNYLFASSA-N

Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count4
Bond Count40
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 73441657
ChEMBL CHEMBL3233016