Austocystin B
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Formula: C22H20O7
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Molecular weight: 396.40
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Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)O)O
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Type: Austocystin (Furoxanthenone)
Austocystin B
Names
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Mycotoxin name: Austocystin B
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First synonym: None
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Synonyms: Austocystin B,55256-57-0,5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-4,6-dihydroxy-9-(3-hydroxy-3-methylbutyl)-, (3as-cis)-,CCRIS 2006,BRN 5168709,DTXSID70203768
Identifiers / External links
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CAS: 55256-57-0
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PubChem CID: 5488068
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ChemSpiderID: 4589640
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CompTox Chemicals Dashboard (DTXSID): DTXSID70203768
Structure
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Smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)O)O
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Isomeric smiles: CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)O[C@@H]5[C@H]4C=CO5)O)O
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Inchi: InChI=1S/C22H20O7/c1-22(2,26)7-5-10-3-4-12(23)16-19(25)17-14(28-20(10)16)9-13-15(18(17)24)11-6-8-27-21(11)29-13/h3-4,6,8-9,11,21,23-24,26H,5,7H2,1-2H3/t11-,21+/m0/s1
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Inchikey: JWPAJVNQGTWPMI-WIUDPPPLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H20O7
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Molecular weight: 396.40
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Monoisotopic mass: 396.12090297
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Fungi
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Fungi id Species 279 Aspergillus ustus