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CHEBI:190059 - Khelmarin D

ChEBI IDCHEBI:190059
ChEBI NameKhelmarin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O8
Net Charge0
Average Mass488.492
Monoisotopic Mass488.14712
SMILESCC1(C)C=Cc2c(cc(OC3c4c(ccc5ccc(=O)oc45)OC(C)(C)C3O)c3ccc(=O)oc23)O1
InChIInChI=1S/C28H24O8/c1-27(2)12-11-16-19(35-27)13-18(15-7-10-21(30)34-24(15)16)32-25-22-17(36-28(3,4)26(25)31)8-5-14-6-9-20(29)33-23(14)22/h5-13,25-26,31H,1-4H3
InChIKeySVNBKSLEKBMPRA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Khelmarin D (CHEBI:190059) is a coumarins (CHEBI:23403)
IUPAC Name 
5-[(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-]chromen-10-yl)oxy]-8,8-dimethylpyrano[2,3-]chromen-2-one
Manual XrefsDatabases
HMDB0041394HMDB
8847988ChemSpider