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CHEBI:220821 - Adametacorenol A

ChEBI IDCHEBI:220821
ChEBI NameAdametacorenol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O3
Net Charge0
Average Mass278.392
Monoisotopic Mass278.18819
SMILESC=C(C)[C@H]1[C@H](OC(C)=O)C[C@H](C)[C@@]12CC=C(C)[C@@H](O)C2
InChIInChI=1S/C17H26O3/c1-10(2)16-15(20-13(5)18)8-12(4)17(16)7-6-11(3)14(19)9-17/h6,12,14-16,19H,1,7-9H2,2-5H3/t12-,14-,15+,16-,17-/m0/s1
InChIKeyWATWOEXGUMDWTP-RKOFLFEYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26039736)
ChEBI Ontology
Outgoing Relation(s)
Adametacorenol A (CHEBI:220821) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1S,3R,4R,5S,9S)-9-hydroxy-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-3-yl] acetate
Manual XrefsDatabases
35517073ChemSpider