Curvularol
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Formula: C15H22O4
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Molecular weight: 266.33
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Smiles: CC1=CC2C(CC1)(C3(C(C(O2)(CC34CO4)O)O)C)C
Curvularol
Names
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Mycotoxin name: Curvularol
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First synonym: Curvularol
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Synonyms: Curvularol,CHEBI:82660,Q27156179,(2S,4S,5S,5aR,9aS,10S)-5,5a,8-trimethyl-5a,6,7,9a-tetrahydro-5H-spiro[2,5-methano[1]benzoxepine-4,2'-oxirane]-2,10(3H)-diol,339293-67-3
Identifiers / External links
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CAS: 339293-67-3
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PubChem CID: 9816788
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ChemSpiderID: 7992538
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Wikidata (wiki): Q27156179
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Chemical Entities of Biological Interest (CHEBI): CHEBI:82660
Structure
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Smiles: CC1=CC2C(CC1)(C3(C(C(O2)(CC34CO4)O)O)C)C
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Isomeric smiles: CC1=C[C@H]2[C@](CC1)([C@]3(C([C@@](O2)(C[C@@]34CO4)O)O)C)C
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Inchi: InChI=1S/C15H22O4/c1-9-4-5-12(2)10(6-9)19-15(17)7-14(8-18-14)13(12,3)11(15)16/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11?,12-,13+,14+,15-/m0/s1
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Inchikey: SSTQGEBHEZQSQQ-HCKLQLJTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H22O4
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Molecular weight: 266.33
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Monoisotopic mass: 266.15180918
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Fungi
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Fungi id Species 419 Curvularia sp. RK97-F166