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CHEBI:212597 - Monapinone B

ChEBI IDCHEBI:212597
ChEBI NameMonapinone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCCCCC[C@@H](O)C[C@@H]1Cc2cc3cc(OC)cc(O)c3c(O)c2C(=O)O1
InChIInChI=1S/C21H26O6/c1-3-4-5-6-14(22)10-16-9-13-7-12-8-15(26-2)11-17(23)18(12)20(24)19(13)21(25)27-16/h7-8,11,14,16,22-24H,3-6,9-10H2,1-2H3/t14-,16+/m1/s1
InChIKeyUCYRHNYBKITOOS-ZBFHGGJFSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (21610716)
ChEBI Ontology
Outgoing Relation(s)
Monapinone B (CHEBI:212597) is a organic heterotricyclic compound (CHEBI:26979)
Monapinone B (CHEBI:212597) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S)-9,10-dihydroxy-3-[(2R)-2-hydroxyheptyl]-7-methoxy-3,4-dihydrobenzo[g]isochromen-1-one
Manual XrefsDatabases
78438551ChemSpider