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CHEBI:223821 - (1S,6S,7R,10S)-aspergilloid E

ChEBI IDCHEBI:223821
ChEBI Name(1S,6S,7R,10S)-aspergilloid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O7
Net Charge0
Average Mass340.372
Monoisotopic Mass340.15220
SMILESCC(=O)OC/C(=C\[C@@H]1[C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@H]12)C(=O)O
InChIInChI=1S/C17H24O7/c1-9(2)12-4-5-17(22)8-24-16(21)14(17)13(12)6-11(15(19)20)7-23-10(3)18/h6,9,12-14,22H,4-5,7-8H2,1-3H3,(H,19,20)/b11-6+/t12-,13-,14-,17-/m1/s1
InChIKeyQSGAITMJUHFIII-CEZLRWQGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (31050424)
ChEBI Ontology
Outgoing Relation(s)
(1S,6S,7R,10S)-aspergilloid E (CHEBI:223821) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(acetyloxymethyl)prop-2-enoic acid