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Tajixanthone hydrate

  • Formula: C25H30O8

  • Molecular weight: 458.50

  • Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)O)O)O.O

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Tajixanthone hydrate

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Tajixanthone hydrate

  • First synonym: Tajixanthone hydrate

  • Synonyms: Tajixanthone hydrate,CHEMBL456494,tajixanthonehydrate,CHEMBL470058,BDBM50266275

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(C(C)(C)O)O)O.O

  • Isomeric smiles: CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)C[C@@H](C(C)(C)O)O)O.O

  • Inchi: InChI=1S/C25H28O7.H2O/c1-11(2)14-10-31-23-12(3)8-16-19(20(23)21(14)28)22(29)18-15(26)7-6-13(24(18)32-16)9-17(27)25(4,5)30;/h6-8,14,17,21,26-28,30H,1,9-10H2,2-5H3;1H2/t14-,17+,21-;/m1./s1

  • Inchikey: OWNCSJANCRIYNY-OKLLSCIYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C25H30O8

  • Molecular weight: 458.50

  • Monoisotopic mass: 458.19406791

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