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CHEBI:224193 - Hydroxydebromomarinone

ChEBI IDCHEBI:224193
ChEBI NameHydroxydebromomarinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCC[C@]1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)C2=C[C@@](C)(O)CC[C@H]21
InChIInChI=1S/C25H28O6/c1-13(2)6-5-8-25(4)17-7-9-24(3,30)12-16(17)20-21(28)15-10-14(26)11-18(27)19(15)22(29)23(20)31-25/h6,10-12,17,26-27,30H,5,7-9H2,1-4H3/t17-,24+,25+/m1/s1
InChIKeyMUPLWVKSOMVFQB-XATISFHKSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - DOI (10.1016/s0040-4039(00)00117-9)
ChEBI Ontology
Outgoing Relation(s)
Hydroxydebromomarinone (CHEBI:224193) is a organic heterotricyclic compound (CHEBI:26979)
Hydroxydebromomarinone (CHEBI:224193) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,4aR,5S)-2,8,10-trihydroxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-4,4a-dihydro-3H-naphtho[2,3-c]isochromene-7,12-dione
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8223546ChemSpider