Theograndin II

Formula: C21H18O16S (558.0316)
Chinese Name:
BioDeep ID: BioDeep_00000846447 ( View LC/MS Profile)
SMILES: C1=CC(=C(C=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)O

Found 3 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
523.0251	[M+H-2H2O]+ `PPM:14.1`	Vitis vinifera	Fruit	MALDI (DHB)	grape_dhb_164_1 - Grape Database Resolution: 17μm, 136x122 Description Grape berries fruit, condition: Late
523.0227	[M+H-2H2O]+ `PPM:9.6`	Posidonia oceanica	root	MALDI (CHCA)	MS1_20180404_PO_1200 - MTBLS1746 Resolution: 17μm, 193x208 Description
581.0243	[M+Na]+ `PPM:6.1`	Posidonia oceanica	root	MALDI (CHCA)	MS1_20180404_PO_1200 - MTBLS1746 Resolution: 17μm, 193x208 Description

523.0251

[M+H-2H2O]+
PPM:14.1

Vitis vinifera

Fruit

MALDI (DHB)

grape_dhb_164_1 - Grape Database

Resolution: 17μm, 136x122

Description

Grape berries fruit, condition: Late

523.0227

[M+H-2H2O]+
PPM:9.6

Posidonia oceanica

root

MALDI (CHCA)

MS1_20180404_PO_1200 - MTBLS1746

Resolution: 17μm, 193x208

Description

581.0243

[M+Na]+
PPM:6.1

Posidonia oceanica

root

MALDI (CHCA)

MS1_20180404_PO_1200 - MTBLS1746

Resolution: 17μm, 193x208

Description

A glycosyloxyflavone and a monosaccharide sulfate that is the 8-O-beta-D-glucuronopyranoside-3-O-sulfate derivative of hypolaetin. It has been isolated from the seeds of Theobroma grandiflorum and has been shown to exhibit antioxidant activity.