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CHEBI:207917 - Ent-isoherqueinone

ChEBI IDCHEBI:207917
ChEBI NameEnt-isoherqueinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCOc1c(O)c2c3c(c1O)C(=O)[C@]1(O)C(=C3C(C)=CC2=O)O[C@H](C)C1(C)C
InChIInChI=1S/C20H20O7/c1-7-6-9(21)11-12-10(7)18-20(25,19(3,4)8(2)27-18)17(24)13(12)15(23)16(26-5)14(11)22/h6,8,22-23,25H,1-5H3/t8-,20+/m1/s1
InChIKeyPKJJEYCUTMFGJW-SQFXPLBJSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (30889916)
ChEBI Ontology
Outgoing Relation(s)
Ent-isoherqueinone (CHEBI:207917) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(7aR,9R)-4,6,7a-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]uran-3,7-dione
Manual XrefsDatabases
73930391ChemSpider