Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63134
- Core Entity Id
- 110152
- Source Entity Count
- 1
- Preferred Name
- Androsterone Glucuronide
- Name En
- Pubchem Id
- 114833
- Smiles Canonical
- CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC5C(C(C(C(O5)C(=O)O)O)O)O
- Molecular Formula
- C25H38O8
- Molecular Weight
- 466.6000
- Inchikey
- VFUIRAVTUVCQTF-BSOWLZGZSA-N
- Inchi
- InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 134.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Androsterone Glucuronide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Androsterone Glucuronide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT22334
Pub Chem
114833
Itcmdb Generated
ITX-INGREDIENT-E7F135FD2B48
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C25H38O8