IngredientID 3386
3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-beta-d-apiofuranosyl(1→2)]-beta-d-glucopyranoside
C27H34O15
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3386
- Core Entity Id
- 6950
- Source Entity Count
- 1
- Preferred Name
- 3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-beta-d-apiofuranosyl(1→2)]-beta-d-glucopyranoside
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C27H34O15
- Molecular Weight
- 598.1900
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)--beta-D-apiofura-nosyl(1->2)]--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-beta-d-apiofuranosyl(1→2)]-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,4-dihydroxyphenylethanol-8-o-[(5-o-vanilloyl)-beta-d-apiofuranosyl(1→2)]-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)--beta-D-apiofura-nosyl(1->2)]--beta-D-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007415
Tcmid
6079
Etcm Ingredient
3,4-Dihydroxyphenylethanol-8-O-[(5-O-vanilloyl)--beta-D-apiofura-nosyl(1->2)]--beta-D-glucopyranoside
Itcmdb Generated
ITX-INGREDIENT-A69BE9EAD4FC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
598.190
Molecular Formula
C27H34O15
Molecular Formula
C27H34O15
Fda Maximum Daily Dose (Fdamdd)
0.002
Quantitative Estimate Of Drug Likeness（Qed）
0.109