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CHEBI:194128 - ustilaginoidin C

ChEBI IDCHEBI:194128
ChEBI Nameustilaginoidin C
Stars
DefinitionA binaphthopyran resulting from the formal oxidative coupling at position 9 of two molecules of 5,6,8-trihydroxy-2-(hydroxymethyl)-4H-naphtho[2,3-b]pyran-4-one.
Last Modified22 November 2022
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H18O12
Net Charge0
Average Mass546.440
Monoisotopic Mass546.07983
SMILESO=c1cc(CO)oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(CO)oc6cc45)c(O)cc(O)c3c(O)c12
InChIInChI=1S/C28H18O12/c29-7-9-1-13(31)25-19(39-9)3-11-21(15(33)5-17(35)23(11)27(25)37)22-12-4-20-26(14(32)2-10(8-30)40-20)28(38)24(12)18(36)6-16(22)34/h1-6,29-30,33-38H,7-8H2
InChIKeyQBCLUTRSJMIUOW-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 C (CHEBI:194128) has role mycotoxin (CHEBI:25442)
ustilaginoidin C (CHEBI:194128) is a benzochromenone (CHEBI:64986)
ustilaginoidin C (CHEBI:194128) is a binaphthopyran (CHEBI:146014)
ustilaginoidin C (CHEBI:194128) is a naphtho-γ-pyrone (CHEBI:64542)
IUPAC Name 
(9M)-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione
Synonyms  Source
(9Ra)-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dioneIUPAC
(6S,9R)-6,9-dihydro-5,5',6,6',8,8'-hexahydroxy-2,2'-bis(hydroxymethyl)-[9,9'-bi-4H-naphtho[2,3-b]pyran]-4,4'-dioneChEBI
Citations