Xyloketal B
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Formula: C20H26O5
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Molecular weight: 346.40
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Smiles: CC1COC2(C1CC3=C(O2)C=C(C4=C3OC5(C(C4)C(CO5)C)C)O)C
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Type: Furobenzopyran
Xyloketal B
Names
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Mycotoxin name: Xyloketal B
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First synonym: None
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Synonyms: Xyloketal B,(4R,7R,8R,15R,18R,19R)-4,7,15,18-Tetramethyl-3,5,14,16-tetraoxapentacyclo[11.7.0.02,10.04,8.015,19]icosa-1(13),2(10),11-trien-11-ol,(4R,7R,8R,15R,18R,19R)-4,7,15,18-tetramethyl-3,5,14,16-tetraoxapentacyclo(11.7.0.02,10.04,8.015,19)icosa-1(13),2(10),11-trien-11-ol,(+)-xyloketal B,CHEMBL4161220,SCHEMBL21494507,CHEBI:195282,(3R,3aR,7aR,10R,10aR,12aR)-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-difuro[3,2-e:3,2-e']benzo[1,2-b:5,6-b']dipyran-5-ol,(3R,3aR,7aR,10R,10aR,12aR)-3,7a,10,12a-tetramethyl-2,3,3a,9,10,10a,11,12a-octahydro-4H,7aH-furo[2,3-b]furo[3',2':5,6]pyrano[2,3-f]chromen-5-ol
Identifiers / External links
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PubChem CID: 10980896
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ChEMBL: CHEMBL4161220,CHEMBL21494507
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Chemical Entities of Biological Interest (CHEBI): CHEBI:195282
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SCHEMBL: SCHEMBL21494507
Structure
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Smiles: CC1COC2(C1CC3=C(O2)C=C(C4=C3OC5(C(C4)C(CO5)C)C)O)C
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Isomeric smiles: C[C@H]1CO[C@]2([C@@H]1CC3=C(O2)C=C(C4=C3O[C@@]5([C@H](C4)[C@H](CO5)C)C)O)C
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Inchi: InChI=1S/C20H26O5/c1-10-9-23-20(4)14(10)5-12-16(21)7-17-13(18(12)25-20)6-15-11(2)8-22-19(15,3)24-17/h7,10-11,14-15,21H,5-6,8-9H2,1-4H3/t10-,11-,14+,15+,19+,20+/m0/s1
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Inchikey: CCNANHBVUNZCKA-FCOFOHSNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H26O5
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Molecular weight: 346.40
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Monoisotopic mass: 346.17802393
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Fungi
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Fungi id Species