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CHEBI:226693 - Aspertenol A

ChEBI IDCHEBI:226693
ChEBI NameAspertenol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O7
Net Charge0
Average Mass508.611
Monoisotopic Mass508.24610
SMILESCc1cc(O)cc(Oc2cc(C)c(C(=O)OCc3ccc([C@@](C)(O)CCCC(C)C)c(O)c3)c(O)c2)c1
InChIInChI=1S/C30H36O7/c1-18(2)7-6-10-30(5,35)25-9-8-21(14-26(25)32)17-36-29(34)28-20(4)13-24(16-27(28)33)37-23-12-19(3)11-22(31)15-23/h8-9,11-16,18,31-33,35H,6-7,10,17H2,1-5H3/t30-/m0/s1
InChIKeyGFQYUAXCYBTWIJ-PMERELPUSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tennesseensis (ncbitaxon:1220210) - PubMed (29416122)
ChEBI Ontology
Outgoing Relation(s)
Aspertenol A (CHEBI:226693) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
Manual XrefsDatabases
78438839ChemSpider