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CHEBI:227628 - Aspergone Q

ChEBI IDCHEBI:227628
ChEBI NameAspergone Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O6
Net Charge0
Average Mass242.227
Monoisotopic Mass242.07904
SMILESC/C=C/C1=C(CO)[C@@H](O)[C@@H](O)[C@@H]2OC(=O)O[C@H]12
InChIInChI=1S/C11H14O6/c1-2-3-5-6(4-12)7(13)8(14)10-9(5)16-11(15)17-10/h2-3,7-10,12-14H,4H2,1H3/b3-2+/t7-,8-,9-,10+/m1/s1
InChIKeyRAGJIXNTSUDXOF-UPPVYHDHSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies OUCMDZ-1583 (ncbitaxon:1548012) - DOI (10.1039/c5ra11185d)
ChEBI Ontology
Outgoing Relation(s)
Aspergone Q (CHEBI:227628) is a carbonate ester (CHEBI:46722)
IUPAC Name 
(3aS,4R,5R,7aR)-4,5-dihydroxy-6-(hydroxymethyl)-7-[(E)-prop-1-enyl]-3a,4,5,7a-tetrahydro-1,3-benzodioxol-2-one
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