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CHEBI:214182 - Methylhydroheptelidate

ChEBI IDCHEBI:214182
ChEBI NameMethylhydroheptelidate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O6
Net Charge0
Average Mass312.362
Monoisotopic Mass312.15729
SMILESCOC(=O)/C(=C/[C@@H]1[C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@H]12)CO
InChIInChI=1S/C16H24O6/c1-9(2)11-4-5-16(20)8-22-15(19)13(16)12(11)6-10(7-17)14(18)21-3/h6,9,11-13,17,20H,4-5,7-8H2,1-3H3/b10-6+/t11-,12-,13-,16-/m1/s1
InChIKeyDORQYFGMXPQCEG-WDZSVEBTSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (32861754)
ChEBI Ontology
Outgoing Relation(s)
Methylhydroheptelidate (CHEBI:214182) is a terpene lactone (CHEBI:37668)
IUPAC Name 
methyl (E)-3-[(3aS,4S,5R,7aS)-7a-hydroxy-3-oxo-5-propan-2-yl-1,3a,4,5,6,7-hexahydro-2-benzouran-4-yl]-2-(hydroxymethyl)prop-2-enoate
Manual XrefsDatabases
98309185ChemSpider