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CHEBI:168773 - BL IV

ChEBI IDCHEBI:168773
ChEBI NameBL IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H18O10
Net Charge0
Average Mass466.398
Monoisotopic Mass466.09000
SMILESCC(=O)Oc1c(-c2ccc(O)cc2)c(OC(C)=O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O
InChIInChI=1S/C24H18O10/c1-10(25)31-21-19(13-4-6-14(28)7-5-13)22(32-11(2)26)24-20(23(21)33-12(3)27)15-8-16(29)17(30)9-18(15)34-24/h4-9,28-30H,1-3H3
InChIKeyDTOIFOOSMQSUBD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
BL IV (CHEBI:168773) is a benzofurans (CHEBI:35259)
IUPAC Name 
[1,2-diacetyloxy-7,8-dihydroxy-3-(4-hydroxyphenyl)dibenzouran-4-yl] acetate
Manual XrefsDatabases
C13746KEGG COMPOUND
8519912ChemSpider
HMDB0034709HMDB