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CHEBI:208995 - Iso-balticol B

ChEBI IDCHEBI:208995
ChEBI NameIso-balticol B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCOc1cc(O)c2c(c1)[C@H](O)[C@H](CO)CC2=O
InChIInChI=1S/C12H14O5/c1-17-7-3-8-11(10(15)4-7)9(14)2-6(5-13)12(8)16/h3-4,6,12-13,15-16H,2,5H2,1H3/t6-,12+/m0/s1
InChIKeyNRAJSFHOTNRJER-PWCHPLFNSA-N
Species of MetaboliteComponentSourceComments
Teratosphaeria (ncbitaxon:237584) - PubMed (29373790)
ChEBI Ontology
Outgoing Relation(s)
Iso-balticol B (CHEBI:208995) is a tetralins (CHEBI:36786)
IUPAC Name 
(3S,4R)-4,8-dihydroxy-3-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
78443335ChemSpider