MSI_000065362

Unreliable

排名分数: 1.71
参考来源: Homo sapiens (UBERON:0001155: colon)

M/z: 888.5528
Mass Window: 888.5528 ~ 888.5528 (none)

参考注释

Calcium phytate_[M+H]+ (BioDeep_00000228016)
Hexacalcium (1S,2R,3R,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonatooxy)cyclohexyl phosphoric acid

Formula: C6H6Ca6O24P6 (887.5430316000001)
SMILES:

[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[Ca++].[O-]P([O-])(=O)O[C@H]1[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O

It is used as a food additive .