Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63351
- Core Entity Id
- 110369
- Source Entity Count
- 1
- Preferred Name
- Citrate
- Name En
- Pubchem Id
- 31348
- Smiles Canonical
- C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
- Molecular Formula
- C6H8O7
- Molecular Weight
- 189.1000
- Inchikey
- KRKNYBCHXYNGOX-UHFFFAOYSA-K
- Inchi
- InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.2000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 141.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Citrate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Citrate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23020
Pub Chem
31348
Itcmdb Generated
ITX-INGREDIENT-9C678EAE6DB4
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
Version
v2
Suppress
0
Molecule Formula
C6H8O7