Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63048
- Core Entity Id
- 110066
- Source Entity Count
- 1
- Preferred Name
- 9,12,15-Octadecatrienoic Acid,Methyl Ester
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C19H32O2
- Molecular Weight
- 292.2400
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9,12,15-Octadecatrienoic Acid,Methyl Ester
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9,12,15-Octadecatrienoic Acid,Methyl Ester
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9,12,15-Octadecatrienoic acid,methyl ester
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22085
Etcm Ingredient
9,12,15-Octadecatrienoic acid,methyl ester9,12,15-octadecatrienoic acid methyl ester
Itcmdb Generated
ITX-INGREDIENT-75EE6CEF6B3BITX-INGREDIENT-8DC345E90A28ITX-INGREDIENT-B3FAA2D8E5EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Molecular Weight
292.240
Molecular Formula
C19H32O2
Fda Maximum Daily Dose (Fdamdd)
0.0280.953
Quantitative Estimate Of Drug Likeness（Qed）
0.245