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CHEBI:202893 - Marinone

ChEBI IDCHEBI:202893
ChEBI NameMarinone
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SubmitterMetaboLights
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FormulaC25H27BrO5
Net Charge0
Average Mass487.390
Monoisotopic Mass486.10419
SMILESCC(C)=CCC[C@]1(C)OC2=C(C(=O)c3c(Br)c(O)cc(O)c3C2=O)[C@H]2C=C(C)CC[C@H]21
InChIInChI=1S/C25H27BrO5/c1-12(2)6-5-9-25(4)15-8-7-13(3)10-14(15)18-22(29)20-19(23(30)24(18)31-25)16(27)11-17(28)21(20)26/h6,10-11,14-15,27-28H,5,7-9H2,1-4H3/t14-,15+,25-/m0/s1
InChIKeyDONXAKUQFKTOAJ-AYNSBQOLSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - DOI (10.1016/s0040-4039(00)00117-9)
ChEBI Ontology
Outgoing Relation(s)
Marinone (CHEBI:202893) is a organic heterotricyclic compound (CHEBI:26979)
Marinone (CHEBI:202893) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aR,5S,12bS)-11-bromo-8,10-dihydroxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
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8633563ChemSpider