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CHEBI:202713 - Herqueidiketal

ChEBI IDCHEBI:202713
ChEBI NameHerqueidiketal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O8
Net Charge0
Average Mass376.361
Monoisotopic Mass376.11582
SMILESCOc1c(O)c2c(c3c1O[C@]1(O)C(C)(C)[C@@H](C)O[C@]31O)C(=O)C(C)=CC2=O
InChIInChI=1S/C19H20O8/c1-7-6-9(20)10-11(13(7)21)12-15(16(25-5)14(10)22)27-19(24)17(3,4)8(2)26-18(12,19)23/h6,8,22-24H,1-5H3/t8-,18-,19-/m1/s1
InChIKeyRFLUIIWXOBEDGV-QNTVGQKLSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (23431962)
ChEBI Ontology
Outgoing Relation(s)
Herqueidiketal (CHEBI:202713) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(12R,14R,16R)-8,12,16-trihydroxy-9-methoxy-4,13,13,14-tetramethyl-11,15-dioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),4,8-tetraene-3,6-dione
Manual XrefsDatabases
78436907ChemSpider