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CHEBI:146013 - ustilaginoidin A

ChEBI IDCHEBI:146013
ChEBI Nameustilaginoidin A
Stars
DefinitionA binaphthopyran resulting from the formal oxidative coupling at position 9 of two molecules of 5,6,8-trihydroxy-2-methyl-4H-naphtho[2,3-b]pyran-4-one.
Last Modified25 November 2022
SubmitterAdnan
DownloadsMolfile
FormulaC28H18O10
Net Charge0
Average Mass514.442
Monoisotopic Mass514.09000
SMILESCc1cc(=O)c2c(O)c3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(=O)cc(C)oc6cc45)c3cc2o1
InChIInChI=1S/C28H18O10/c1-9-3-13(29)25-19(37-9)5-11-21(15(31)7-17(33)23(11)27(25)35)22-12-6-20-26(14(30)4-10(2)38-20)28(36)24(12)18(34)8-16(22)32/h3-8,31-36H,1-2H3
InChIKeyGCSBLYZTGOQVPI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ustilaginoidea virens (ncbitaxon:1159556) - DOI (/10.1016/S0040-4039(01)90914-1)
Aspergillus tubingensis (ncbitaxon:5068) - PubMed (31878243)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
ustilaginoidin A (CHEBI:146013) has role Aspergillus metabolite (CHEBI:76956)
ustilaginoidin A (CHEBI:146013) is a benzochromenone (CHEBI:64986)
ustilaginoidin A (CHEBI:146013) is a binaphthopyran (CHEBI:146014)
ustilaginoidin A (CHEBI:146013) is a naphtho-γ-pyrone (CHEBI:64542)
ustilaginoidin A (CHEBI:146013) is a phenols (CHEBI:33853)
ustilaginoidin A (CHEBI:146013) is conjugate acid of ustilaginoidin A(2−) (CHEBI:145840)
Incoming Relation(s)
ustilaginoidin A(2−) (CHEBI:145840) is conjugate base of ustilaginoidin A (CHEBI:146013)
IUPAC Name 
(9M)-5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-7,8-dihydro-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dione
Synonyms  Source
5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-4H,4'H-[9,9'-binaphtho[2,3-b]pyran]-4,4'-dioneIUPAC
9,9'-bisnorrubrofusarinChEBI
didehydrocephalochrominChEBI
5,5',6,6',8,8'-hexahydroxy-2,2'-dimethyl-4H,4'H-[9,9'-bibenzo[g]chromene]-4,4'-dioneIUPAC
Registry NumbersSources
CAS:3692-07-7ChemIDplus
Citations