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Herbarumin ii

  • Formula: C12H20O5

  • Molecular weight: 244.28

  • Smiles: CCCC1C(C(C=CCCC(C(=O)O1)O)O)O

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Herbarumin ii

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

Names

  • Mycotoxin name: Herbarumin ii

  • First synonym: Herbarumin ii

  • Synonyms: herbarumin II,CHEMBL446877,KQJGPGHQDDZVHJ-ZFOCBLLKSA-

Identifiers / External links

Structure

  • Smiles: CCCC1C(C(C=CCCC(C(=O)O1)O)O)O

  • Isomeric smiles: CCC[C@@H]1[C@H]([C@H](/C=C/CC[C@H](C(=O)O1)O)O)O

  • Inchi: InChI=1S/C12H20O5/c1-2-5-10-11(15)8(13)6-3-4-7-9(14)12(16)17-10/h3,6,8-11,13-15H,2,4-5,7H2,1H3/b6-3+/t8-,9+,10+,11-/m0/s1

  • Inchikey: KQJGPGHQDDZVHJ-ZFOCBLLKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H20O5

  • Molecular weight: 244.28

  • Monoisotopic mass: 244.13107373

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