Punicalagin

Punicalagin
	Chemical structure of punicalagin
Names
	Other names 2,3-(S)-hexahydroxydiphenoyl-4,6-(S,S)-gallagyl-D-glucose; α-punicalagin; β-punicalagin
Identifiers
CAS Number	65995-63-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:167695;
ChEMBL	ChEMBL506814 ;
ChemSpider	17286657; 29272136;
KEGG	C22601;
PubChem CID	16129869;
CompTox Dashboard (EPA)	DTXSID40894768 ;
	InChI InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2 Key: ZJVUMAFASBFUBG-UHFFFAOYSA-N;
	SMILES C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)C=O)O;
Properties
Chemical formula	C48H28O30
Molar mass	1084.71 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Punicalagin (Pyuni-cala-jen) is an ellagitannin, a type of phenolic compound. It is occurs as alpha and beta isomers in pomegranates (Punica granatum), Terminalia catappa, Terminalia myriocarpa,^[1] and in Combretum molle, the velvet bushwillow, a plant species found in South Africa.^[2] These three genera are all Myrtales and the last two are both Combretaceae.

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