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CHEBI:211036 - Dicitrinone D

ChEBI IDCHEBI:211036
ChEBI NameDicitrinone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O6
Net Charge0
Average Mass358.390
Monoisotopic Mass358.14164
SMILESCC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(Cc2c(O)c(C)c(C)oc2=O)=C1O
InChIInChI=1S/C20H22O6/c1-8-11(4)25-7-15-16(8)10(3)18(22)13(19(15)23)6-14-17(21)9(2)12(5)26-20(14)24/h7-8,11,21-22H,6H2,1-5H3/t8-,11-/m1/s1
InChIKeyQVWPVQXEWODGHP-LDYMZIIASA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1016/j.tet.2017.08.032)
ChEBI Ontology
Outgoing Relation(s)
Dicitrinone D (CHEBI:211036) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S)-6-hydroxy-7-[(4-hydroxy-5,6-dimethyl-2-oxopyran-3-yl)methyl]-3,4,5-trimethyl-3,4-dihydroisochromen-8-one
Manual XrefsDatabases
78441715ChemSpider