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CHEBI:194127 - ustilaginoidin B

ChEBI IDCHEBI:194127
ChEBI Nameustilaginoidin B
Stars
DefinitionA binaphthopyran resulting from the formal oxidative coupling at positions 9 of molecules of 5,6,8-trihydroxy-2-methyl-4H-benzo[g]chromen-4-one and 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-benzo[g]chromen-4-one.
Last Modified25 November 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H18O11
Net Charge0
Average Mass530.441
Monoisotopic Mass530.08491
SMILESCc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(CO)oc6cc45)c3cc2o1
InChIInChI=1S/C28H18O11/c1-9-2-13(30)25-19(38-9)4-11-21(15(32)6-17(34)23(11)27(25)36)22-12-5-20-26(14(31)3-10(8-29)39-20)28(37)24(12)18(35)7-16(22)33/h2-7,29,32-37H,8H2,1H3
InChIKeyGZIQKPWGGIPNAJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - PubMed (36287930)
Roles Classification
Biological Role:
mycotoxin  Poisonous substance produced by fungi.
ChEBI Ontology
Outgoing Relation(s)
ustilaginoidin B (CHEBI:194127) has role mycotoxin (CHEBI:25442)
ustilaginoidin B (CHEBI:194127) is a benzochromenone (CHEBI:64986)
ustilaginoidin B (CHEBI:194127) is a binaphthopyran (CHEBI:146014)
ustilaginoidin B (CHEBI:194127) is a naphtho-γ-pyrone (CHEBI:64542)
IUPAC Name 
(9M)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione
Synonyms  Source
(9Ra)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dioneIUPAC
(9R,9'R)-5,5',6,6',8,8'-hexahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bi-4H-naphtho[2,3-b]pyran]-4,4'-dioneChEBI
Citations