Summary

IMPPAT Phytochemical identifier: IMPHY006562

Phytochemical name: Calcium Maleate

Synonymous chemical names:
calcium-maleate

External chemical identifiers:
CID:6916005, SureChEMBL:SCHEMBL372273

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Chemical structure information

SMILES:
[O-]C(=O)/C=CC(=O)[O-].[Ca+2]

InChI:
InChI=1S/C4H4O4.Ca/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2/b2-1-;

InChIKey:
HDRTWMBOUSPQON-ODZAUARKSA-L

DeepSMILES:
[O-]C=O)/C=CC=O)[O-].[Ca+2]

Functional groups:
O=C([O-])/C=CC(=O)[O-], [Ca+2]

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Dicarboxylic acids and derivatives

NP-Likeness score: -0.057

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Chemical structure download