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
- 64524
- Core Entity Id
- 111542
- Source Entity Count
- 1
- Preferred Name
- Phenyl Sulfate
- Name En
- Pubchem Id
- 18795569
- Smiles Canonical
- C1=CC=C(C=C1)OS(=O)(=O)[O-]
- Molecular Formula
- C6H5O4S-
- Molecular Weight
- 173.1700
- Inchikey
- CTYRPMDGLDAWRQ-UHFFFAOYSA-M
- Inchi
- InChI=1S/C6H6O4S/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H,7,8,9)/p-1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.7000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 74.8000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Phenyl Sulfate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26088
Itcmdb Generated
ITX-INGREDIENT-F3040E504ADD
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0