Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 8Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63946
- Core Entity Id
- 110964
- Source Entity Count
- 1
- Preferred Name
- Hippurate
- Name En
- Pubchem Id
- 464
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)NCC(=O)O
- Molecular Formula
- C9H9NO3
- Molecular Weight
- 179.1700
- Inchikey
- QIAFMBKCNZACKA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.3000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 66.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hippurate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24431
Itcmdb Generated
ITX-INGREDIENT-DE6510517A30
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0