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CHEBI:169804 - Heteroartonin A

ChEBI IDCHEBI:169804
ChEBI NameHeteroartonin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O7
Net Charge0
Average Mass452.503
Monoisotopic Mass452.18350
SMILESCOc1c(O)cc(-c2oc3cc(O)cc(O)c3c(=O)c2CC=C(C)C)c(O)c1CC=C(C)C
InChIInChI=1S/C26H28O7/c1-13(2)6-8-16-23(30)18(12-20(29)26(16)32-5)25-17(9-7-14(3)4)24(31)22-19(28)10-15(27)11-21(22)33-25/h6-7,10-12,27-30H,8-9H2,1-5H3
InChIKeyONBLHZQNAGITBB-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)
Heteroartonin A (CHEBI:169804) is a flavones (CHEBI:24043)
IUPAC Name 
2-[2,5-dihydroxy-4-methoxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-(3-methylbut-2-enyl)chromen-4-one
Manual XrefsDatabases
HMDB0041323HMDB
LMPK12110909LIPID MAPS
24843907ChemSpider