Sambucoin
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Formula: C15H22O3
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Molecular weight: 250.33
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Smiles: CC1=CC2C(CC1)(C3(CCC(=O)C3(CO2)O)C)C
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Type: Cyclopentabenzopyran
Sambucoin
Names
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Mycotoxin name: Sambucoin
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First synonym: Sambucoin
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Synonyms: Sambucoin,90044-34-1,DTXSID501009111,Cyclopenta(c)(1)benzopyran-3(2H)-one, 1,3a,4,5a,8,9,9a,9b-octahydro-3a-hydroxy-7,9a,9b-trimethyl-, (3aS,5aS,9aR,9bR)-,3a-Hydroxy-7,9a,9b-trimethyl-1,3a,4,5a,8,9,9a,9b-octahydrobenzo[b]cyclopenta[d]pyran-3(2H)-one
Identifiers / External links
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CAS: 90044-34-1
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PubChem CID: 119328
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CompTox Chemicals Dashboard (DTXSID): DTXSID501009111
Structure
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Smiles: CC1=CC2C(CC1)(C3(CCC(=O)C3(CO2)O)C)C
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Isomeric smiles: CC1=C[C@H]2[C@](CC1)([C@]3(CCC(=O)[C@]3(CO2)O)C)C
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Inchi: InChI=1S/C15H22O3/c1-10-4-6-13(2)12(8-10)18-9-15(17)11(16)5-7-14(13,15)3/h8,12,17H,4-7,9H2,1-3H3/t12-,13-,14+,15-/m0/s1
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Inchikey: ALCGWQGTELZSPT-XQLPTFJDSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H22O3
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Molecular weight: 250.33
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Monoisotopic mass: 250.15689456
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Fungi
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Fungi id Species 556 Fusarium sambucinum