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Ingredients

(2r,3s)-2,3-dihydroxy-2-(4-hydroxybenzyl)succinic acid

C11H12O7

Entity Type
Ingredients
Relation Groups
2
Relation Preview
14

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2r,3s)-2,3-dihydroxy-2-(4-hydroxybenzyl)succinic acid
Molecular Formula
C11H12O7
Molecular Weight
No data
Canonical SMILES
C1=CC(=CC=C1CC(C(C(=O)O)O)(C(=O)O)O)O
Isomeric SMILES
C1=CC(=CC=C1C[C@@]([C@@H](C(=O)O)O)(C(=O)O)O)O
InChI
InChI=1S/C11H12O7/c12-7-3-1-6(2-4-7)5-11(18,10(16)17)8(13)9(14)15/h1-4,8,12-13,18H,5H2,(H,14,15)(H,16,17)/t8-,11-/m1/s1
Oral Bioavailability
50.762
Drug Likeness
0.465
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient6 Herbs
01
升麻
Sheng Ma / Rhizoma Cimicifugae; Cimicifugae Rhizoma
Sheng MaRhizoma Cimicifugae; Cimicifugae Rhizoma