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CHEBI:192330 - BL III

ChEBI IDCHEBI:192330
ChEBI NameBL III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O11
Net Charge0
Average Mass508.435
Monoisotopic Mass508.10056
SMILESCC(=O)Oc1ccc(-c2c(OC(C)=O)c(OC(C)=O)c3c(oc4cc(O)c(O)cc43)c2OC(C)=O)cc1
InChIInChI=1S/C26H20O11/c1-11(27)33-16-7-5-15(6-8-16)21-23(34-12(2)28)25(36-14(4)30)22-17-9-18(31)19(32)10-20(17)37-26(22)24(21)35-13(3)29/h5-10,31-32H,1-4H3
InChIKeyRCCVHCHMVALAKN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
BL III (CHEBI:192330) is a benzofurans (CHEBI:35259)
IUPAC Name 
[4-(1,2,4-triacetyloxy-7,8-dihydroxydibenzouran-3-yl)phenyl] acetate
Manual XrefsDatabases
8589360ChemSpider
HMDB0039566HMDB