Rotiorinol a
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Formula: C23H26O5
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Molecular weight: 382.40
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Smiles: CCC(C)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(C2=CO1)O)C)C(=O)C
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Type: Azaphilone
Rotiorinol a
Names
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Mycotoxin name: Rotiorinol a
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First synonym: Rotiorinol a
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Synonyms: ROTIORINOL A,CHEBI:68785,CHEMBL525184,Q27137176,(9R,9aR)-3-acetyl-6-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-9-hydroxy-9a-methyl-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one,(9R,9aR)-3-acetyl-6-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-9-hydroxy-9a-methyl-9H-furo[3,2-g]isochromen-2-one,6-acetyl-3-(3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one
Identifiers / External links
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CAS: 901309-41-9
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PubChem CID: 11617875
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ChEMBL: CHEMBL525184
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Wikidata (wiki): Q27137176
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Chemical Entities of Biological Interest (CHEBI): CHEBI:68785
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CompTox Chemicals Dashboard (DTXSID): DTXSID701318031
Structure
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Smiles: CCC(C)C=C(C)C=CC1=CC2=CC3=C(C(=O)OC3(C(C2=CO1)O)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@@H](C2=CO1)O)C)C(=O)C
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Inchi: InChI=1S/C23H26O5/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/h7-13,21,25H,6H2,1-5H3/b8-7+,14-9+/t13-,21+,23+/m0/s1
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Inchikey: QXVIQXFZWZQGMX-CBNFSBMOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H26O5
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Molecular weight: 382.40
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Monoisotopic mass: 382.17802393
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Fungi
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Fungi id Species 332 Chaetomium cupreum CC3003