Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70316
- Core Entity Id
- 132965
- Source Entity Count
- 1
- Preferred Name
- benzoylformic acid
- Name En
- Pubchem Id
- 11915
- Smiles Canonical
- C1=CC=C(C=C1)C(=O)C(=O)O
- Molecular Formula
- C8H6O3
- Molecular Weight
- 150.0300
- Inchikey
- FAQJJMHZNSSFSM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 54.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
benzoylformic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
benzoylformic acid
Itcmdb Generated
ITX-INGREDIENT-9993F08549B3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
150.030
Molecular Formula
C8H6O3
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.504