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CHEBI:209638 - Methoxydebromomarinone

ChEBI IDCHEBI:209638
ChEBI NameMethoxydebromomarinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O6
Net Charge0
Average Mass438.520
Monoisotopic Mass438.20424
SMILESCO[C@]1(C)C=C2C3=C(O[C@@](C)(CCC=C(C)C)[C@@H]2CC1)C(=O)c1c(O)cc(O)cc1C3=O
InChIInChI=1S/C26H30O6/c1-14(2)7-6-9-26(4)18-8-10-25(3,31-5)13-17(18)21-22(29)16-11-15(27)12-19(28)20(16)23(30)24(21)32-26/h7,11-13,18,27-28H,6,8-10H2,1-5H3/t18-,25+,26+/m1/s1
InChIKeyMKGDDGSJZJVAIY-LROUJFHJSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - DOI (10.1016/s0040-4039(00)00117-9)
ChEBI Ontology
Outgoing Relation(s)
Methoxydebromomarinone (CHEBI:209638) is a organic heterotricyclic compound (CHEBI:26979)
Methoxydebromomarinone (CHEBI:209638) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,4aR,5S)-8,10-dihydroxy-2-methoxy-2,5-dimethyl-5-(4-methylpent-3-enyl)-4,4a-dihydro-3H-naphtho[2,3-c]isochromene-7,12-dione
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