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CHEBI:219642 - Dicitrinone A

ChEBI IDCHEBI:219642
ChEBI NameDicitrinone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O6
Net Charge0
Average Mass466.574
Monoisotopic Mass466.23554
SMILESCCCC(C1=C(O)C(C)=C2C(=CO[C@H](C)[C@H]2C)C1=O)C1=C(O)C(C)=C2C(=CO[C@H](C)[C@H]2C)C1=O
InChIInChI=1S/C28H34O6/c1-8-9-18(23-25(29)14(4)21-12(2)16(6)33-10-19(21)27(23)31)24-26(30)15(5)22-13(3)17(7)34-11-20(22)28(24)32/h10-13,16-18,29-30H,8-9H2,1-7H3/t12-,13-,16-,17-/m1/s1
InChIKeyMHUSJVQTUWEZLL-BQGCOEIASA-N
Species of MetaboliteComponentSourceComments
Penicillium citrinum (ncbitaxon:5077) - DOI (10.1016/j.tet.2010.09.036)
ChEBI Ontology
Outgoing Relation(s)
Dicitrinone A (CHEBI:219642) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S)-6-hydroxy-7-[1-[(3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromen-7-yl]butyl]-3,4,5-trimethyl-3,4-dihydroisochromen-8-one
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78437631ChemSpider