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CHEBI:226781 - Botryosphaerone E

ChEBI IDCHEBI:226781
ChEBI NameBotryosphaerone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCCc1c(OC)cc2c(c1O)C(=O)C[C@@H](OC)[C@H]2O
InChIInChI=1S/C14H18O5/c1-4-7-10(18-2)5-8-12(14(7)17)9(15)6-11(19-3)13(8)16/h5,11,13,16-17H,4,6H2,1-3H3/t11-,13+/m1/s1
InChIKeyYLSOOYDKHUEZQR-YPMHNXCESA-N
Species of MetaboliteComponentSourceComments
Pyrenochaetopsis (ncbitaxon:798144) - PubMed (33006889)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerone E (CHEBI:226781) is a tetralins (CHEBI:36786)
IUPAC Name 
(3R,4S)-7-ethyl-4,8-dihydroxy-3,6-dimethoxy-3,4-dihydro-2H-naphthalen-1-one