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CHEBI:204673 - Dicitrinone C

ChEBI IDCHEBI:204673
ChEBI NameDicitrinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC1=C2C(=CO[C@H](C)[C@H]2C)C(=O)C(CC2=C(O)C(C)=C3C(=CO[C@H](C)[C@H]3C)C2=O)=C1O
InChIInChI=1S/C25H28O6/c1-10-14(5)30-8-18-20(10)12(3)22(26)16(24(18)28)7-17-23(27)13(4)21-11(2)15(6)31-9-19(21)25(17)29/h8-11,14-15,26-27H,7H2,1-6H3/t10-,11-,14-,15-/m1/s1
InChIKeyANUXSVFRJVLLSU-YIKOMLBNSA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1016/j.tet.2010.09.036)
ChEBI Ontology
Outgoing Relation(s)
Dicitrinone C (CHEBI:204673) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S)-6-hydroxy-7-[[(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromen-7-yl]methyl]-3,4,5-trimethyl-3,4-dihydroisochromen-8-one
Manual XrefsDatabases
78437177ChemSpider