Sporol
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Formula: C15H22O4
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Molecular weight: 266.33
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Smiles: CC12CCC3(CO1)C4(CC5CC4(OC3(C2)O5)CO)C
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Type: Trichothecene
Sporol
Names
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Mycotoxin name: Sporol
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First synonym: Sporol
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Synonyms: Sporol,UNII-YXJ027JND6,YXJ027JND6,101401-88-1,CHEBI:174513,Q27294768,[(1R,2R,4R,6R,8R,10S)-2,10-dimethyl-7,11,15-trioxapentacyclo[8.2.2.14,8.01,8.02,6]pentadecan-6-yl]methanol
Identifiers / External links
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CAS: 101401-88-1
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PubChem CID: 71356032
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US FDA (UNII): UNII-YXJ027JND6
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Wikidata (wiki): Q27294768
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Chemical Entities of Biological Interest (CHEBI): CHEBI:174513
Structure
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Smiles: CC12CCC3(CO1)C4(CC5CC4(OC3(C2)O5)CO)C
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Isomeric smiles: C[C@@]12CC[C@]3(CO1)[C@]4(C[C@@H]5C[C@]4(O[C@@]3(C2)O5)CO)C
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Inchi: InChI=1S/C15H22O4/c1-11-3-4-13(9-17-11)12(2)5-10-6-14(12,8-16)19-15(13,7-11)18-10/h10,16H,3-9H2,1-2H3/t10-,11+,12-,13+,14+,15-/m1/s1
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Inchikey: RGGZJNLZRGIMHQ-BYGOPZEFSA-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 578 Fusarium sporotrichioides