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CHEBI:214025 - Aspericacid B

Default Structure
ChEBI IDCHEBI:214025
ChEBI NameAspericacid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O4
Net Charge0
Average Mass284.396
Monoisotopic Mass284.19876
SMILESC/C(=C\[C@H](C)C[C@H](C)C(=O)O)[C@H]1CC[C@](C)([C@H](C)O)O1
InChIInChI=1S/C16H28O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12-14,17H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10-,12-,13-,14+,16+/m0/s1
InChIKeyBVFQDPRIMUDOQZ-LYYRZGBXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32569677)
ChEBI Ontology
Outgoing Relation(s)
Aspericacid B (CHEBI:214025) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(E,2S,4R)-6-[(2R,5R)-5-[(1S)-1-hydroxyethyl]-5-methyloxolan-2-yl]-2,4-dimethylhept-5-enoic acid