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Sequoiatone b

  • Formula: C22H30O5

  • Molecular weight: 374.50

  • Smiles: CCCCCCC(C)C(=O)C=C1C(=C2C=C(OC=C2C1(C)O)C)C(=O)OC

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Sequoiatone b

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

Names

  • Mycotoxin name: Sequoiatone b

  • First synonym: Sequoiatone b

  • Synonyms: Sequoiatone B,CHEMBL448254

Identifiers / External links

Structure

  • Smiles: CCCCCCC(C)C(=O)C=C1C(=C2C=C(OC=C2C1(C)O)C)C(=O)OC

  • Isomeric smiles: CCCCCC[C@@H](C)C(=O)/C=C\1/C(=C2C=C(OC=C2[C@@]1(C)O)C)C(=O)OC

  • Inchi: InChI=1S/C22H30O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-14,25H,6-10H2,1-5H3/b17-12-/t14-,22+/m1/s1

  • Inchikey: AZRKTTNHSKOLMR-ZFKUNJMVSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H30O5

  • Molecular weight: 374.50

  • Monoisotopic mass: 374.20932405

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