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CHEBI:197559 - Boletopsin 12

ChEBI IDCHEBI:197559
ChEBI NameBoletopsin 12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H22O9
Net Charge0
Average Mass466.442
Monoisotopic Mass466.12638
SMILESCOc1cc2oc3c(OC)c(-c4ccc(O)cc4)c(OC(C)=O)c(OC(C)=O)c3c2cc1OC
InChIInChI=1S/C25H22O9/c1-12(26)32-23-20(14-6-8-15(28)9-7-14)22(31-5)24-21(25(23)33-13(2)27)16-10-18(29-3)19(30-4)11-17(16)34-24/h6-11,28H,1-5H3
InChIKeyUZNUWUQLEBDKTH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Boletopsisspecies (ncbitaxon:2012190) - DOI (10.1002/ajoc.201300081)
ChEBI Ontology
Outgoing Relation(s)
Boletopsin 12 (CHEBI:197559) is a benzofurans (CHEBI:35259)
IUPAC Name 
[1-acetyloxy-3-(4-hydroxyphenyl)-4,7,8-trimethoxydibenzouran-2-yl] acetate
Manual XrefsDatabases
78435323ChemSpider