theograndin I

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komponim kimik

External resources

DSSTox substance ID	DTXSID801045348^[1]
PubChem CID	11156985^[2]^[1]
ChemSpider ID	9332093^[3]
ChEMBL ID	CHEMBL460972^[4]
InChI	InChI=1S/C21H18O15S/c22-8-3-1-7(2-4-8)12-6-10(24)13-9(23)5-11(25)16(17(13)33-12)34-21-15(27)18(36-37(30,31)32)14(26)19(35-21)20(28)29/h1-6,14-15,18-19,21-23,25-27H,(H,28,29)(H,30,31,32)/t14-,15+,18-,19-,21+/m0/s1^[2]
Freebase ID	/m/0t_d1jj
InChIKey	RUJCBFMBNQPWBK-DLSLMLROSA-N^[2]
UniChem compound ID	471676^[5]
UNII	H7Z3V79EXC^[1]

type of chemical entity

flavone

theograndin I

542,036641±0 dalton^[2]

C₂₁H₁₈O₁₅S^[2]

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)OC4C(C(C(C(O4)C(=O)O)O)OS(=O)(=O)O)O)O^[2]

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)OS(=O)(=O)O)O)O^[2]

Theobroma grandiflorum^[6]^[6]

^ ^a ^b ^c RUJCBFMBNQPWBK-DLSLMLROSA-N, InChIKey
^ ^a ^b ^c ^d ^e ^f ^g PubChem, 21 shtator 2016, anglisht, 11156985, THEOGRANDIN I
^ ChemSpider, 21 shtator 2016, anglisht, 9332093, Theograndin I
^ ChEMBL, 21 shtator 2016, anglisht, THEOGRANDIN I, CHEMBL460972
^ UniChem
^ ^a ^b New bioactive polyphenols from Theobroma grandiflorum ("cupuaçu").