MSI_000003917

Unreliable

排名分数: 1.34
参考来源: Homo sapiens (UBERON:0002107: liver)

M/z: 622.0529
Mass Window: 622.0529 ~ 622.0529 (none)

参考注释

Gallagic acid_[M+NH4]+ (BioDeep_00000033579)
4,5,6,12,19,20,21,27-octahydroxy-10,14,25,29-tetraoxaoctacyclo[14.14.2.0²,¹¹.0³,⁸.0¹³,³¹.0¹⁷,²⁶.0¹⁸,²³.0²⁸,³²]dotriaconta-1(31),2(11),3(8),4,6,12,16(32),18(23),19,21,27-undecaene-9,15,24,30-tetrone

Formula: C28H12O16 (604.0125352)
SMILES: OC1=CC2=C(C3C(OC2=O)C(O)=C2OC(=O)C4=C5C(OC(=O)C3=C25)=C(O)C2=C4C3=C(C=C(O)C(O)=C3O)C(=O)O2)C(O)=C1O

Gallagic acid is a constituent of Punica granatum (pomegranate) [CCD].