1-CAFFEOYLQUINIC ACID ,1241-87-8 _Chemical Cloud Database

1-CAFFEOYLQUINIC ACID

Basic Information
Product Name：	1-CAFFEOYLQUINIC ACID
CAS：	1241-87-8
English Synonyms：	1-CAFFEOYLQUINIC ACID ; 1-O-CAFFEOYLQUINIC ACID
MDL Number.：	MFCD10566609
H bond acceptor：	9
H bond donor：	6
Smile：	c1cc(c(cc1/C=C/C(=O)O[C@@]2(C[C@H]([C@@H]([C@@H](C2)O)O)O)C(=O)O)O)O
InChi：	InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-16(15(23)24)6-11(19)14(22)12(20)7-16/h1-5,11-12,14,17-20,22H,6-7H2,(H,23,24)/b4-2+/t11-,12-,14-,16+/m1/s1
InChiKey：	InChIKey=GWTUHAXUUFROTF-JUHZACGLSA-N
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