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CHEBI:203718 - Debromomarinone

ChEBI IDCHEBI:203718
ChEBI NameDebromomarinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC(C)=CCC[C@]1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(C)CC[C@H]21
InChIInChI=1S/C25H28O5/c1-13(2)6-5-9-25(4)18-8-7-14(3)10-16(18)21-22(28)17-11-15(26)12-19(27)20(17)23(29)24(21)30-25/h6,10-12,16,18,26-27H,5,7-9H2,1-4H3/t16-,18+,25-/m0/s1
InChIKeyDPALYVVGGATILJ-UVNWJPITSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - DOI (10.1016/0040-4039(93)88010-g)
ChEBI Ontology
Outgoing Relation(s)
Debromomarinone (CHEBI:203718) is a organic heterotricyclic compound (CHEBI:26979)
Debromomarinone (CHEBI:203718) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aR,5S,12bS)-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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