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Ingredients

76897_fluka

C5H12O2

Entity Type
Ingredients
Relation Groups
4
Relation Preview
26

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
76897_fluka
Molecular Formula
C5H12O2
Molecular Weight
No data
Canonical SMILES
CC(CC(C)O)O
Isomeric SMILES
C[C@H](C[C@@H](C)O)O
InChI
InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
Oral Bioavailability
48.668
Drug Likeness
0.523
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 ingredient2 Herbs
01
徐长卿
Xu Chang Qing / Radix et Rhizoma Cynanchi Paniculati; Cynanchi Paniculati Radix et Rhizoma
Xu Chang QingRadix et Rhizoma Cynanchi Paniculati; Cynanchi Paniculati Radix et Rhizoma
02
麻黄
Ma Huang / Ephedrae Herba; Herba Ephedrae
Ma HuangEphedrae Herba; Herba Ephedrae