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CHEBI:211233 - (R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one

ChEBI IDCHEBI:211233
ChEBI Name(R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCC1(C)CCc2cc(C3=C(O)/C(=C\c4ccc5c(c4)C[C@H](C(C)(C)O)O5)OC3=O)ccc2O1
InChIInChI=1S/C27H28O6/c1-26(2)10-9-16-13-17(6-8-20(16)33-26)23-24(28)21(32-25(23)29)12-15-5-7-19-18(11-15)14-22(31-19)27(3,4)30/h5-8,11-13,22,28,30H,9-10,14H2,1-4H3/b21-12+/t22-/m1/s1
InChIKeyQKFPWZKTZYTQIO-UHSICZIDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2017.11.039)
ChEBI Ontology
Outgoing Relation(s)
(R,E)-3-(2,2-dimethylchroman-6-yl)-4-hydroxy-5-((2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzofuran-5-yl)methylene)furan-2(5H)-one (CHEBI:211233) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(5E)-3-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-hydroxy-5-[[(2R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzouran-5-yl]methylidene]uran-2-one
Manual XrefsDatabases
75590302ChemSpider