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CHEBI:222776 - 3-acetylgliocladic acid

ChEBI IDCHEBI:222776
ChEBI Name3-acetylgliocladic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCC(=O)OC/C(=C\[C@H]1C=C(CO)CC[C@@H]1C(C)C)C(=O)O
InChIInChI=1S/C16H24O5/c1-10(2)15-5-4-12(8-17)6-13(15)7-14(16(19)20)9-21-11(3)18/h6-7,10,13,15,17H,4-5,8-9H2,1-3H3,(H,19,20)/b14-7+/t13-,15-/m1/s1
InChIKeyBTCRLEWCNSALFZ-ZWJJSVNDSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (30596497)
ChEBI Ontology
Outgoing Relation(s)
3-acetylgliocladic acid (CHEBI:222776) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(E)-2-(acetyloxymethyl)-3-[(1R,6R)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
Manual XrefsDatabases
74832029ChemSpider