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Halymecin b

  • Formula: C48H86O19

  • Molecular weight: 967.20

  • Smiles: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)OC(=O)C)O)OC1C(C(C(C(O1)CO)O)O)O)O

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Halymecin b

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

Names

  • Mycotoxin name: Halymecin b

  • First synonym: Halymecin b

  • Synonyms: Halymecin B

Identifiers / External links

Structure

  • Smiles: CCCCCC(CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)OC(CCCCC)CC(CC(=O)O)O)OC(=O)C)O)OC1C(C(C(C(O1)CO)O)O)O)O

  • Isomeric smiles: CCCCC[C@H](C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O)O)OC(=O)C)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

  • Inchi: InChI=1S/C48H86O19/c1-6-10-14-18-32(51)22-38(66-48-47(61)46(60)45(59)40(30-49)67-48)28-43(57)64-36(20-16-12-8-3)24-34(53)26-42(56)65-37(21-17-13-9-4)27-39(62-31(5)50)29-44(58)63-35(19-15-11-7-2)23-33(52)25-41(54)55/h32-40,45-49,51-53,59-61H,6-30H2,1-5H3,(H,54,55)/t32-,33-,34-,35-,36-,37-,38-,39-,40-,45-,46+,47+,48-/m1/s1

  • Inchikey: NOMDKESBADZKCR-WYFDDTMZSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C48H86O19

  • Molecular weight: 967.20

  • Monoisotopic mass: 966.57633051

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