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CHEBI:198840 - Botryosphaerone D

ChEBI IDCHEBI:198840
ChEBI NameBotryosphaerone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCCc1c(OC)cc2c(c1O)C(=O)C[C@H](O)[C@H]2O
InChIInChI=1S/C13H16O5/c1-3-6-10(18-2)4-7-11(13(6)17)8(14)5-9(15)12(7)16/h4,9,12,15-17H,3,5H2,1-2H3/t9-,12-/m0/s1
InChIKeyCALZOMFTGJDTHS-CABZTGNLSA-N
Species of MetaboliteComponentSourceComments
Botryosphaeria (ncbitaxon:45132) - DOI (10.1002/hlca.201000345)
ChEBI Ontology
Outgoing Relation(s)
Botryosphaerone D (CHEBI:198840) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4S)-7-ethyl-3,4,8-trihydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
30797230ChemSpider