Miotoxin A
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Formula: C29H38O9
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Molecular weight: 530.60
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Smiles: CC1=CC2C3(CC1)COC(=O)C=C(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)C
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Type: Trichothecene
Miotoxin A
Names
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Mycotoxin name: Miotoxin A
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First synonym: None
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Synonyms: Myotoxin A,Miotoxin A,BRN 5673166,90790-03-7,(18E,20E)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,22-dione,Verrucarin A, 2',3'-didehydro-7'-deoxo-2'-deoxy-4'-hydroxy-7'-(1-hydroxyethyl)-, (2'E,4'S,7'R,(R))-,Myotoxin alpha,Mytx alpha,(18E,20E)-14-hydroxy-17-(1-hydroxyethyl)-5,13,25-trimethylspiro(2,10,16,23-tetraoxatetracyclo(22.2.1.03,8.08,25)heptacosa-4,12,18,20-tetraene-26,2'-oxirane)-11,22-dione,CHEBI:230834,63440-27-7
Identifiers / External links
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CAS: 90790-03-7,63440-27-7
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PubChem CID: 56843811
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Chemical Entities of Biological Interest (CHEBI): CHEBI:230834
Structure
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Smiles: CC1=CC2C3(CC1)COC(=O)C=C(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)C
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Isomeric smiles: CC1=CC2C3(CC1)COC(=O)C=C(C(COC(/C=C/C=C/C(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)C
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Inchi: InChI=1S/C29H38O9/c1-17-9-10-28-15-35-26(33)12-18(2)20(31)14-34-21(19(3)30)7-5-6-8-25(32)38-22-13-24(37-23(28)11-17)29(16-36-29)27(22,28)4/h5-8,11-12,19-24,30-31H,9-10,13-16H2,1-4H3/b7-5+,8-6+,18-12?
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Inchikey: XHEPXCWCOGMKMI-BKEOKNCFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C29H38O9
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Molecular weight: 530.60
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Monoisotopic mass: 530.25158279
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Fungi
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Fungi id Species