Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64915
- Core Entity Id
- 111933
- Source Entity Count
- 1
- Preferred Name
- Vanillic Acid Glucoside
- Name En
- Pubchem Id
- 14132336
- Smiles Canonical
- COC1=C(C=CC(=C1)C(=O)O)OC2C(C(C(C(O2)CO)O)O)O
- Molecular Formula
- C14H18O9
- Molecular Weight
- 330.2900
- Inchikey
- JYFOSWJYZIVJPO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H18O9/c1-21-8-4-6(13(19)20)2-3-7(8)22-14-12(18)11(17)10(16)9(5-15)23-14/h2-4,9-12,14-18H,5H2,1H3,(H,19,20)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.5000
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 146.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vanillic Acid Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT27389
Itcmdb Generated
ITX-INGREDIENT-3F300638B47E
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients,Metabolic ingredients
Version
v2
Suppress
0
Molecule Formula
C14H18O9