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CHEBI:212491 - Isopolisin B

ChEBI IDCHEBI:212491
ChEBI NameIsopolisin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESCC1=CC[C@@](C)([C@@]2(C)CCC(=O)O2)C[C@@H]1O
InChIInChI=1S/C13H20O3/c1-9-4-6-12(2,8-10(9)14)13(3)7-5-11(15)16-13/h4,10,14H,5-8H2,1-3H3/t10-,12+,13+/m0/s1
InChIKeyZZSQTJIXLRIEOU-CYZMBNFOSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis heterocornis (ncbitaxon:285113) - PubMed (28335391)
ChEBI Ontology
Outgoing Relation(s)
Isopolisin B (CHEBI:212491) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(5R)-5-[(1R,5S)-5-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-5-methyloxolan-2-one
Manual XrefsDatabases
78439227ChemSpider