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CHEBI:208608 - Primarolide A

ChEBI IDCHEBI:208608
ChEBI NamePrimarolide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O6
Net Charge0
Average Mass368.385
Monoisotopic Mass368.12599
SMILESCOc1c(C)cc2c(c1O)C(=O)O[C@@H]2c1c(O)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C21H20O6/c1-10-9-12-14(16(23)17(10)25-4)20(24)26-19(12)15-13(22)6-5-11-7-8-21(2,3)27-18(11)15/h5-9,19,22-23H,1-4H3/t19-/m0/s1
InChIKeyHOBJUJAJXSZOAT-IBGZPJMESA-N
Species of MetaboliteComponentSourceComments
Asteromyces cruciatus (ncbitaxon:1407621) - PubMed (31344982)
ChEBI Ontology
Outgoing Relation(s)
Primarolide A (CHEBI:208608) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
7-hydroxy-3-(7-hydroxy-2,2-dimethylchromen-8-yl)-6-methoxy-5-methyl-3H-2-benzouran-1-one
Manual XrefsDatabases
77005936ChemSpider