01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 2
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- 12-acetoxy group-9-octadecadienoic acid
- Molecular Formula
- C18H31NO4
- Molecular Weight
- No data
- Canonical SMILES
- CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O)[O-]
- Isomeric SMILES
- CCCCC/C=C(\C/C=C\CCCCCCCC(=O)O)/[N+](=O)[O-]
- InChI
- InChI=1S/C18H31NO4/c1-2-3-4-11-14-17(19(22)23)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,14H,2-8,10-11,13,15-16H2,1H3,(H,20,21)/b12-9-,17-14+
- Oral Bioavailability
- No data
- Drug Likeness
- 0.187
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient1 Herbs
