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CHEBI:228057 - Asperchondol A

ChEBI IDCHEBI:228057
ChEBI NameAsperchondol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILESCc1cc(O)c(O)c(Cc2ccc([C@@](C)(O)CCCC(C)C)c(O)c2)c1
InChIInChI=1S/C22H30O4/c1-14(2)6-5-9-22(4,26)18-8-7-16(13-19(18)23)12-17-10-15(3)11-20(24)21(17)25/h7-8,10-11,13-14,23-26H,5-6,9,12H2,1-4H3/t22-/m0/s1
InChIKeyCQOPYNXJCNLSMM-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1016/j.phytol.2016.10.015)
ChEBI Ontology
Outgoing Relation(s)
Asperchondol A (CHEBI:228057) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
3-[[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl]-5-methylbenzene-1,2-diol
Manual XrefsDatabases
60596976ChemSpider