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
- 62529
- Core Entity Id
- 109547
- Source Entity Count
- 1
- Preferred Name
- 12-Hete
- Name En
- Pubchem Id
- 13786989
- Smiles Canonical
- CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
- Molecular Formula
- C20H32O3
- Molecular Weight
- 320.5000
- Inchikey
- ZNHVWPKMFKADKW-VXBMJZGYSA-N
- Inchi
- InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.2000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-Hete
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
12-Hete
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20338
Itcmdb Generated
ITX-INGREDIENT-1CE2E9ADEFCF
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0