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CHEBI:210979 - (+)-(1R,3R,3′R)-1,4-dimethoxy-3-(3′-hydroxy-3′-methyl-1′-tetralone)-1(3H)-isobenzofuran

ChEBI IDCHEBI:210979
ChEBI Name(+)-(1R,3R,3′R)-1,4-dimethoxy-3-(3′-hydroxy-3′-methyl-1′-tetralone)-1(3H)-isobenzofuran
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILESCOc1cccc2c1[C@@H](c1ccc3c(c1)C(=O)C[C@](C)(O)C3)O[C@H]2OC
InChIInChI=1S/C21H22O5/c1-21(23)10-13-8-7-12(9-15(13)16(22)11-21)19-18-14(20(25-3)26-19)5-4-6-17(18)24-2/h4-9,19-20,23H,10-11H2,1-3H3/t19-,20-,21-/m1/s1
InChIKeyXDJZKGNJUWDOAH-NJDAHSKKSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies W007 (ncbitaxon:1055352) - PubMed (25315432)
ChEBI Ontology
Outgoing Relation(s)
(+)-(1R,3R,3′R)-1,4-dimethoxy-3-(3′-hydroxy-3′-methyl-1′-tetralone)-1(3H)-isobenzofuran (CHEBI:210979) is a tetralins (CHEBI:36786)
IUPAC Name 
(3R)-7-[(1R,3R)-3,7-dimethoxy-1,3-dihydro-2-benzouran-1-yl]-3-hydroxy-3-methyl-2,4-dihydronaphthalen-1-one
Manual XrefsDatabases
35516727ChemSpider