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Acremonidin b

  • Formula: C31H24O11

  • Molecular weight: 572.50

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2O)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

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Acremonidin b

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

  • Mycotoxin name: Acremonidin b

  • First synonym: Acremonidin b

  • Synonyms: Acremonidin B

Identifiers / External links

Structure

  • Smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C=CC3(C2O)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Isomeric smiles: CC1=CC2=C(C(=C1)O)C(=C3C(=O)[C@@H]4C=C[C@]3([C@H]2O)CC5=CC(=C(C(=C45)O)C(=O)C6=C(C=CC(=C6C(=O)OC)O)O)O)O

  • Inchi: InChI=1S/C31H24O11/c1-11-7-14-20(17(34)8-11)28(39)24-25(36)13-5-6-31(24,29(14)40)10-12-9-18(35)23(26(37)19(12)13)27(38)21-15(32)3-4-16(33)22(21)30(41)42-2/h3-9,13,29,32-35,37,39-40H,10H2,1-2H3/t13-,29+,31+/m1/s1

  • Inchikey: HIABMWDNEAHXTD-QWVXRVACSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C31H24O11

  • Molecular weight: 572.50

  • Monoisotopic mass: 572.13186158

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