Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70993
- Core Entity Id
- 133642
- Source Entity Count
- 1
- Preferred Name
- citric acid monohydrate
- Name En
- Pubchem Id
- 22230
- Smiles Canonical
- C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
- Molecular Formula
- C6H10O8
- Molecular Weight
- 210.0400
- Inchikey
- YASYEJJMZJALEJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C6H8O7.H2O/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);1H2
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.0732
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 133.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
citric acid monohydrate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
citric acid monohydrate
Itcmdb Generated
ITX-INGREDIENT-036F11D15C59
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
210.040
Molecular Formula
C6H10O8
Fda Maximum Daily Dose (Fdamdd)
0.008
Quantitative Estimate Of Drug Likeness（Qed）
0.427