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CHEBI:207077 - Emycine E

Default Structure
ChEBI IDCHEBI:207077
ChEBI NameEmycine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O4
Net Charge0
Average Mass310.349
Monoisotopic Mass310.12051
SMILESC[C@@H]1CC(=O)c2c(ccc(O)c2[C@@H]2OCc3c(O)cccc32)C1
InChIInChI=1S/C19H18O4/c1-10-7-11-5-6-15(21)18(17(11)16(22)8-10)19-12-3-2-4-14(20)13(12)9-23-19/h2-6,10,19-21H,7-9H2,1H3/t10-,19+/m0/s1
InChIKeyPSIRSIGHIADHPZ-APBUJDDRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/ange.19951071525)
ChEBI Ontology
Outgoing Relation(s)
Emycine E (CHEBI:207077) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S)-7-hydroxy-8-[(1R)-4-hydroxy-1,3-dihydro-2-benzouran-1-yl]-3-methyl-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
78442755ChemSpider