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CHEBI:210986 - Aspergillusene D

ChEBI IDCHEBI:210986
ChEBI NameAspergillusene D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC(C)CCC[C@](C)(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H22O3/c1-11(2)5-4-10-15(3,18)13-8-6-12(7-9-13)14(16)17/h6-9,11,18H,4-5,10H2,1-3H3,(H,16,17)/t15-/m0/s1
InChIKeyPKDSUBSWQHHJNL-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30946944)
ChEBI Ontology
Outgoing Relation(s)
Aspergillusene D (CHEBI:210986) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoic acid
Manual XrefsDatabases
73950473ChemSpider