Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63855
- Core Entity Id
- 110873
- Source Entity Count
- 1
- Preferred Name
- Glucuronide
- Name En
- Pubchem Id
- 5281877
- Smiles Canonical
- CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O)C)C
- Molecular Formula
- C26H36O8
- Molecular Weight
- 476.6000
- Inchikey
- MTGFYEHKPMOVNE-NEFMKCFNSA-N
- Inchi
- InChI=1S/C26H36O8/c1-15(11-12-18-17(3)10-7-13-26(18,4)5)8-6-9-16(2)14-19(27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h6,8-9,11-12,14,20-23,25,28-30H,7,10,13H2,1-5H3,(H,31,32)/b9-6+,12-11+,15-8+,16-14+/t20-,21-,22+,23-,25+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.4000
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 134.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glucuronide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Glucuronide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24220
Itcmdb Generated
ITX-INGREDIENT-C814FF9B8A1D
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0