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CHEBI:223437 - Spiromastol I

ChEBI IDCHEBI:223437
ChEBI NameSpiromastol I
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCC)c2c(=O)o1
InChIInChI=1S/C21H22O6/c1-3-5-12-7-14(22)10-17(24)20(12)27-18-11-15(23)8-13-9-16(6-4-2)26-21(25)19(13)18/h7-11,22-24H,3-6H2,1-2H3
InChIKeyDJGNDSKOUUDRIZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastigoides (ncbitaxon:37234) - PubMed (25913707)
ChEBI Ontology
Outgoing Relation(s)
Spiromastol I (CHEBI:223437) is a isocoumarins (CHEBI:38758)
IUPAC Name 
8-(2,4-dihydroxy-6-propylphenoxy)-6-hydroxy-3-propylisochromen-1-one
Manual XrefsDatabases
35516947ChemSpider