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Phomopsidin

  • Formula: C21H30O3

  • Molecular weight: 330.50

  • Smiles: CC=C(C)C1C(C2C(CCC(C2C=C1C)O)C)C=CC=CC(=O)O

  • Type: Naphthalene

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Phomopsidin

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

Names

  • Mycotoxin name: Phomopsidin

  • First synonym: None

  • Synonyms: Phomopsidin,199173-60-9,(2E,4E)-5-[(1S,2R,4aS,5S,8S,8aS)-2-[(E)-but-2-en-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid,SCHEMBL3404620,CHEBI:203987,AKOS040735419,NCGC00380736-01,NCGC00380736-01_C21H30O3_(2E,4E)-5-{(1S,2R,4aS,5S,8S,8aS)-2-[(2E)-2-Buten-2-yl]-5-hydroxy-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}-2,4-pentadienoic acid

Identifiers / External links

Structure

  • Smiles: CC=C(C)C1C(C2C(CCC(C2C=C1C)O)C)C=CC=CC(=O)O

  • Isomeric smiles: C/C=C(\C)/[C@H]1[C@H]([C@@H]2[C@H](CC[C@@H]([C@@H]2C=C1C)O)C)/C=C/C=C/C(=O)O

  • Inchi: InChI=1S/C21H30O3/c1-5-13(2)20-15(4)12-17-18(22)11-10-14(3)21(17)16(20)8-6-7-9-19(23)24/h5-9,12,14,16-18,20-22H,10-11H2,1-4H3,(H,23,24)/b8-6+,9-7+,13-5+/t14-,16+,17-,18-,20+,21-/m0/s1

  • Inchikey: KNDPLJZJPQWOMQ-FDTXVGEPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H30O3

  • Molecular weight: 330.50

  • Monoisotopic mass: 330.21949481

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