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CHEBI:211600 - Alokicenone B

ChEBI IDCHEBI:211600
ChEBI NameAlokicenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCOc1cc(C)c2c(O)c3c(cc2c1)[C@@H](O)CCC3=O
InChIInChI=1S/C16H16O4/c1-8-5-10(20-2)6-9-7-11-12(17)3-4-13(18)15(11)16(19)14(8)9/h5-7,12,17,19H,3-4H2,1-2H3/t12-/m0/s1
InChIKeyZQENMXXRMQUJJM-LBPRGKRZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tet.2018.09.049)
ChEBI Ontology
Outgoing Relation(s)
Alokicenone B (CHEBI:211600) is a anthracenes (CHEBI:46955)
IUPAC Name 
(4S)-4,9-dihydroxy-6-methoxy-8-methyl-3,4-dihydro-2H-anthracen-1-one
Manual XrefsDatabases
71048807ChemSpider