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
- 64278
- Core Entity Id
- 111296
- Source Entity Count
- 1
- Preferred Name
- Menadiol Disulfate
- Name En
- Pubchem Id
- 71103
- Smiles Canonical
- CC1=C(C2=CC=CC=C2C(=C1)OS(=O)(=O)O)OS(=O)(=O)O
- Molecular Formula
- C11H10O8S2
- Molecular Weight
- 334.3000
- Inchikey
- JYJGXBHAXCGVHV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O8S2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H,12,13,14)(H,15,16,17)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.6000
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 144.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Menadiol Disulfate
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Menadiol Disulfate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25332
Itcmdb Generated
ITX-INGREDIENT-8F08D7BBC70E
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0