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CHEBI:224505 - Spiromastol J

Default Structure
ChEBI IDCHEBI:224505
ChEBI NameSpiromastol J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILESCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCC)cc(O)c1C(=O)O
InChIInChI=1S/C20H22O7/c1-3-5-11-7-13(21)9-15(22)18(11)20(26)27-14-8-12(6-4-2)17(19(24)25)16(23)10-14/h7-10,21-23H,3-6H2,1-2H3,(H,24,25)
InChIKeyKDWGMSJHASISHI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Spiromastigoides (ncbitaxon:37234) - PubMed (25913707)
ChEBI Ontology
Outgoing Relation(s)
Spiromastol J (CHEBI:224505) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-(2,4-dihydroxy-6-propylbenzoyl)oxy-2-hydroxy-6-propylbenzoic acid
Manual XrefsDatabases
35516948ChemSpider