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CHEBI:226247 - Dicitrinone E

ChEBI IDCHEBI:226247
ChEBI NameDicitrinone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O6
Net Charge0
Average Mass402.487
Monoisotopic Mass402.20424
SMILESCc1c([C@H](C)[C@@H](C)O)cc(O)c(Cc2c(O)c(C)c3c(c2O)O[C@H](C)[C@H]3C)c1O
InChIInChI=1S/C23H30O6/c1-9(13(5)24)15-8-18(25)16(20(26)11(15)3)7-17-21(27)12(4)19-10(2)14(6)29-23(19)22(17)28/h8-10,13-14,24-28H,7H2,1-6H3/t9-,10-,13-,14-/m1/s1
InChIKeyVVYMCJNWXOSIMS-DMTCVQMQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tetlet.2019.151182)
ChEBI Ontology
Outgoing Relation(s)
Dicitrinone E (CHEBI:226247) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(2R,3S)-6-[[2,6-dihydroxy-4-[(2S,3R)-3-hydroxybutan-2-yl]-3-methylphenyl]methyl]-2,3,4-trimethyl-2,3-dihydro-1-benzouran-5,7-diol
Manual XrefsDatabases
78315768ChemSpider