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CHEBI:223818 - (1S,6S,7R)-aspergilloid E

ChEBI IDCHEBI:223818
ChEBI Name(1S,6S,7R)-aspergilloid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC=C1CC[C@H](C(C)C)[C@@H](/C=C(\CC(=O)O)C(=O)O)[C@@H]1O
InChIInChI=1S/C15H22O5/c1-8(2)11-5-4-9(3)14(18)12(11)6-10(15(19)20)7-13(16)17/h6,8,11-12,14,18H,3-5,7H2,1-2H3,(H,16,17)(H,19,20)/b10-6+/t11-,12-,14-/m1/s1
InChIKeyPQIDNVBKAHUVIK-MIJWNKRLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (31050424)
ChEBI Ontology
Outgoing Relation(s)
(1S,6S,7R)-aspergilloid E (CHEBI:223818) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2E)-2-[[(1S,2S,6R)-2-hydroxy-3-methylidene-6-propan-2-ylcyclohexyl]methylidene]butanedioic acid