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Ingredients

Trans-aconitic acid

C6H6O6

Entity Type
Ingredients
Relation Groups
2
Relation Preview
11

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
Trans-aconitic acid
Molecular Formula
C6H6O6
Molecular Weight
No data
Canonical SMILES
C(C(=CC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES
C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
Oral Bioavailability
No data
Drug Likeness
0.498
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
一枝蒿
YI ZHI HAO / Achillea alpina [Syn. Achillea sibirica ]
YI ZHI HAOAchillea alpina [Syn. Achillea sibirica ]
06
黑豆
Hei Dou / Sojae Semen Nigrum; Semen Sojae Nigrum
Hei DouSojae Semen Nigrum; Semen Sojae Nigrum