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: 8Ingredient: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36192
- Core Entity Id
- 43419
- Source Entity Count
- 1
- Preferred Name
- Uronic acid
- Name En
- Pubchem Id
- 7098672
- Smiles Canonical
- C1(C(C(OC(C1O)O)C(=O)O)O)O
- Molecular Formula
- C6H10O7
- Molecular Weight
- 194.1390
- Inchikey
- AEMOLEFTQBMNLQ-IPLSTXOASA-N
- Inchi
- InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6-/m1/s1
- Isomeric Smiles
- [C@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -3.1291
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.2980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Uronic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Uronic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Uronic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Uronic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-keto-4-deoxy galacturonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-keto-4-deoxy galacturonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15596880
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL15596880
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
5-keto-4-deoxy galacturonic acidSCHEMBL15596880
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047594
Tcmid
23850
Sym Map
SMIT18452
Pub Chem
7098672
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6-/m1/s1
Mol Wt
194.139
Mol Log P
-3.129099999999998
Version
v1,v2
In Ch Ikey
AEMOLEFTQBMNLQ-IPLSTXOASA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.298
Num Hacceptors
6
Isomeric Smiles
[C@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
Canonical Smiles
C1(C(C(OC(C1O)O)C(=O)O)O)O
Herb Alias Names
SCHEMBL155968805-keto-4-deoxy galacturonic acid
Molecular Formula
C6H10O7
Num Rotatable Bonds
1