Showing entry for 4,5-Di-O-caffeoylquinic acid

General Compound Information
BXGC Id	BXGC0001919
Compound Name	4,5-Di-O-caffeoylquinic acid
Structure
Formula	C25H24O12
InchiKey	UFCLZKMFXSILNL-RVXRWRFUSA-N
SMILES	O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H]1OC(=O)\C=C\C1=CC=C(O)C(O)=C1)C(O)=O
Inchi	InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1
IUPAC	(1R,3R,4S,5R)-3,4-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,5-dihydroxycyclohexane-1-carboxylic acid
Molecular Weight	516.45
Pubchem Id	6474309
Chembl Id	CHEMBL177126