Ustusol b
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Formula: C15H24O4
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Molecular weight: 268.35
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Smiles: CC1=CC(=O)C2C(CC(CC2(C1(CO)O)C)O)(C)C
Ustusol b
Names
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Mycotoxin name: Ustusol b
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First synonym: Ustusol b
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Synonyms: USTUSOL B,CHEMBL1080768
Identifiers / External links
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CAS: 1188398-12-0
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PubChem CID: 44557562
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ChEMBL: CHEMBL1080768
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213032
Structure
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Smiles: CC1=CC(=O)C2C(CC(CC2(C1(CO)O)C)O)(C)C
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Isomeric smiles: CC1=CC(=O)[C@@H]2[C@@]([C@]1(CO)O)(C[C@@H](CC2(C)C)O)C
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Inchi: InChI=1S/C15H24O4/c1-9-5-11(18)12-13(2,3)6-10(17)7-14(12,4)15(9,19)8-16/h5,10,12,16-17,19H,6-8H2,1-4H3/t10-,12+,14+,15-/m1/s1
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Inchikey: MMMVWBXLRFTTSV-UEEZHKSASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H24O4
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Molecular weight: 268.35
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Monoisotopic mass: 268.16745924
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Fungi
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Fungi id Species 280 Aspergillus ustus 094102