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CHEBI:227318 - Neoherqueinone

ChEBI IDCHEBI:227318
ChEBI NameNeoherqueinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCOC1=C(O)C2=C3O[C@H](C)C(C)(C)[C@]3(O)C(=O)c3c(C)cc(O)c(c32)C1=O
InChIInChI=1S/C20H20O7/c1-7-6-9(21)11-12-10(7)17(24)20(25)18(27-8(2)19(20,3)4)13(12)15(23)16(26-5)14(11)22/h6,8,21,23,25H,1-5H3/t8-,20+/m1/s1
InChIKeyHMMFFOZWOALJDZ-SQFXPLBJSA-N
Species of MetaboliteComponentSourceComments
Penicillium herquei (ncbitaxon:69774) - PubMed (26848504)
ChEBI Ontology
Outgoing Relation(s)
Neoherqueinone (CHEBI:227318) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(7aR,9R)-1,4,7a-trihydroxy-2-methoxy-6,8,8,9-tetramethyl-9H-phenaleno[3,2-b]uran-3,7-dione
Manual XrefsDatabases
58922993ChemSpider