rotiorin
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Formula: C23H24O5
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Molecular weight: 380.40
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Smiles: CCC(C)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(=O)C2=CO1)C)C(=O)C
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Type: Azaphilone (Furobenzofuran)
rotiorin
Names
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Mycotoxin name: rotiorin
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First synonym: (-)-rotiorin
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Synonyms: ROTIORIN,UNII-84M8SHQ8LY,84M8SHQ8LY,27781-60-8,Rotiorine,(+)-Rotiorin,Q27269533,2H-Furo(3,2-g)(2)benzopyran-2,9(9ah)-dione, 3-acetyl-6-((1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl)-9a-methyl-, (9aS)-,2H-Furo(3,2-g)(2)benzopyran-2,9(9ah)-dione, 3-acetyl-6-(3,5-dimethyl-1,3-heptadienyl)-9a-methyl-, (S-(R*,R*-(E,E)))-
Identifiers / External links
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CAS: 27781-60-8
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PubChem CID: 90470745
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ChemSpiderID: 9749219
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US FDA (UNII): UNII-84M8SHQ8LY
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Wikidata (wiki): Q27269533,Q8
Structure
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Smiles: CCC(C)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(=O)C2=CO1)C)C(=O)C
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Isomeric smiles: CC[C@H](C)/C=C(\C)/C=C/C1=CC2=CC3=C(C(=O)O[C@@]3(C(=O)C2=CO1)C)C(=O)C
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Inchi: InChI=1S/C23H24O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13H,6H2,1-5H3/b8-7+,14-9+/t13-,23-/m0/s1
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Inchikey: CJMOMVNHRUTOJX-WCUWGRSFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H24O5
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Molecular weight: 380.40
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Monoisotopic mass: 380.16237386
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Fungi
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Fungi id Species 332 Chaetomium cupreum CC3003