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Phomactin C

  • Formula: C20H28O3

  • Molecular weight: 316.40

  • Smiles: CC1CC=C2C(C1(CCC(=CCCC3(C(C2=O)O3)C)C)C)C=O

  • Type: Phomactins

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Phomactin C

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

Names

  • Mycotoxin name: Phomactin C

  • First synonym: None

  • Synonyms: Phomactin C,CHEBI:199541,(3S,5R,8E,12S,13R,16R)-5,9,12,13-tetramethyl-2-oxo-4-oxatricyclo[10.3.1.03,5]hexadeca-1(15),8-diene-16-carbaldehyde

Identifiers / External links

Structure

  • Smiles: CC1CC=C2C(C1(CCC(=CCCC3(C(C2=O)O3)C)C)C)C=O

  • Isomeric smiles: C[C@@H]1CC=C2[C@@H]([C@]1(CC/C(=C/CC[C@@]3([C@@H](C2=O)O3)C)/C)C)C=O

  • Inchi: InChI=1S/C20H28O3/c1-13-6-5-10-20(4)18(23-20)17(22)15-8-7-14(2)19(3,11-9-13)16(15)12-21/h6,8,12,14,16,18H,5,7,9-11H2,1-4H3/b13-6+/t14-,16+,18-,19+,20-/m1/s1

  • Inchikey: QQJPKWMYESOJFA-XORHUKBNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H28O3

  • Molecular weight: 316.40

  • Monoisotopic mass: 316.20384475

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