Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50694
- Core Entity Id
- 93705
- Source Entity Count
- 1
- Preferred Name
- TCMBANKIN035575
- Name En
- Pubchem Id
- 439535
- Smiles Canonical
- O=C(O)C(O)C(O)CO
- Molecular Formula
- C4H8O5
- Molecular Weight
- 136.1000
- Inchikey
- JPIJQSOTBSSVTP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.1000
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 98.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN035575
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C(C(C(C(=O)O)O)O)O
Molecular Formula
C4H8O5