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CHEBI:225263 - Herbarin

ChEBI IDCHEBI:225263
ChEBI NameHerbarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCOc1cc(OC)c2c(c1)C(=O)C1=C(CO[C@@](C)(O)C1)C2=O
InChIInChI=1S/C16H16O6/c1-16(19)6-10-11(7-22-16)15(18)13-9(14(10)17)4-8(20-2)5-12(13)21-3/h4-5,19H,6-7H2,1-3H3/t16-/m1/s1
InChIKeyMQWLANHTCHDMAR-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Torula herbarum (ncbitaxon:646131) - PubMed (5572751)
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
Herbarin (CHEBI:225263) is a benzoisochromanequinone (CHEBI:48129)
IUPAC Name 
(3R)-3-hydroxy-7,9-dimethoxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
Manual XrefsDatabases
23311572ChemSpider