Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 43912
- Core Entity Id
- 86923
- Source Entity Count
- 1
- Preferred Name
- Caso4
- Name En
- Pubchem Id
- 522675
- Smiles Canonical
- [O-]S(=O)(=O)[O-].[Ca+2]
- Molecular Formula
- CaO4S
- 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
Caso4
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
caso4
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019863
Sym Map
SMIT22840
Pub Chem
522675
Tcmbank
TCMBANKIN013173
Itcmdb Generated
ITX-INGREDIENT-B5A814922B4F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
[O-]S(=O)(=O)[O-].[Ca+2]
Version
v2
Suppress
0
Molecular Weight
136.14 g/mol
Molecular Formula
CaO4S