Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63267
- Core Entity Id
- 110285
- Source Entity Count
- 1
- Preferred Name
- Calcium Sulphate
- Name En
- Pubchem Id
- 24497
- Smiles Canonical
- [O-]S(=O)(=O)[O-].[Ca+2]
- Molecular Formula
- CaSO4
- Molecular Weight
- 136.1400
- Inchikey
- OSGAYBCDTDRGGQ-UHFFFAOYSA-L
- Inchi
- InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.7188
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 88.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Calcium Sulphate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22787
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients,QC ingredients
Version
v2
Suppress
0
Molecule Formula
CaSO4