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CHEBI:225147 - Cymobarbatol

ChEBI IDCHEBI:225147
ChEBI NameCymobarbatol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20Br2O2
Net Charge0
Average Mass404.142
Monoisotopic Mass401.98300
SMILESCC1(C)[C@@H](Br)CC[C@@]2(C)Oc3cc(Br)c(O)cc3C[C@@H]12
InChIInChI=1S/C16H20Br2O2/c1-15(2)13-7-9-6-11(19)10(17)8-12(9)20-16(13,3)5-4-14(15)18/h6,8,13-14,19H,4-5,7H2,1-3H3/t13-,14-,16+/m0/s1
InChIKeyALTFOIOEOXFNOO-OFQRWUPVSA-N
ChEBI Ontology
Outgoing Relation(s)
Cymobarbatol (CHEBI:225147) is a xanthenes (CHEBI:38835)
IUPAC Name 
(7S,8aS,10aR)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-ol
Manual XrefsDatabases
115292ChemSpider