Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63337
- Core Entity Id
- 110355
- Source Entity Count
- 1
- Preferred Name
- Cis-9-Cis-12-Octadecadienoic Acid
- Name En
- Pubchem Id
- 3931
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCC(=O)O
- Molecular Formula
- C18H32O2
- Molecular Weight
- 280.4000
- Inchikey
- OYHQOLUKZRVURQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.8000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-9-Cis-12-Octadecadienoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-9-Cis-12-Octadecadienoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22997
Itcmdb Generated
ITX-INGREDIENT-D792C2C9735C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0