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CHEBI:207011 - Diacetylgliocladic acid

ChEBI IDCHEBI:207011
ChEBI NameDiacetylgliocladic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O6
Net Charge0
Average Mass338.400
Monoisotopic Mass338.17294
SMILESCC(=O)OCC1=C[C@H](/C=C(\COC(C)=O)C(=O)O)[C@@H](C(C)C)CC1
InChIInChI=1S/C18H26O6/c1-11(2)17-6-5-14(9-23-12(3)19)7-15(17)8-16(18(21)22)10-24-13(4)20/h7-8,11,15,17H,5-6,9-10H2,1-4H3,(H,21,22)/b16-8+/t15-,17-/m1/s1
InChIKeyNJNIOSBNPSHVDM-KBAVJDLBSA-N
Species of MetaboliteComponentSourceComments
Trichoderma virens (ncbitaxon:29875) - PubMed (31479255)
ChEBI Ontology
Outgoing Relation(s)
Diacetylgliocladic acid (CHEBI:207011) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name 
(E)-2-(acetyloxymethyl)-3-[(1R,6R)-3-(acetyloxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid