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Phomenone

  • Formula: C15H20O4

  • Molecular weight: 264.32

  • Smiles: CC1C(CCC2=CC(=O)C3(C(C12C)O3)C(=C)CO)O

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Phomenone

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

  • Mycotoxin name: Phomenone

  • First synonym: Phomenone

  • Synonyms: Phomenone,55785-58-5,CHEBI:8115,(1aR,6R,7R,7aR,7bR)-6-hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one,(+)-Phomenone,MEGxm0_000426,CHEMBL1172874,DTXSID00971165,ZINC4098290,MFCD08274591,AKOS030213213,MCULE-3230992952,NCGC00380396-01,C09708,Q27107803,6-Hydroxy-1a-(3-hydroxyprop-1-en-2-yl)-7,7a-dimethyl-4,5,6,7,7a,7b-hexahydronaphtho[1,2-b]oxiren-2(1aH)-one,Naphth(1,2-b)oxiren-2(1aH)-one, 4,5,6,7,7a,7b-hexahydro-6-hydroxy-1a-(1-(hydroxymethyl)ethenyl)-7,7a-dimethyl-, (1aR-(1aalpha,6beta,7alpha,7aalpha,7balpha))-

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Structure

  • Smiles: CC1C(CCC2=CC(=O)C3(C(C12C)O3)C(=C)CO)O

  • Isomeric smiles: C[C@H]1[C@@H](CCC2=CC(=O)[C@]3([C@@H]([C@]12C)O3)C(=C)CO)O

  • Inchi: InChI=1S/C15H20O4/c1-8(7-16)15-12(18)6-10-4-5-11(17)9(2)14(10,3)13(15)19-15/h6,9,11,13,16-17H,1,4-5,7H2,2-3H3/t9-,11+,13+,14+,15-/m0/s1

  • Inchikey: WKZMDQXEUJZALS-OANMRLRGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H20O4

  • Molecular weight: 264.32

  • Monoisotopic mass: 264.13615911

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