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CHEBI:191644 - Momilactone C

ChEBI IDCHEBI:191644
ChEBI NameMomilactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12[C@]3(C)C[C@H](O)C[C@]1(C)C(=O)O[C@]2([H])C=C1C[C@](C)(C=C)CC[C@]13[H]
InChIInChI=1S/C20H28O3/c1-5-18(2)7-6-14-12(9-18)8-15-16-19(14,3)10-13(21)11-20(16,4)17(22)23-15/h5,8,13-16,21H,1,6-7,9-11H2,2-4H3/t13-,14+,15+,16+,18+,19+,20-/m0/s1
InChIKeyVSXVHWPQGHHXGS-GYNABYOXSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Momilactone C (CHEBI:191644) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
(1R,2R,5R,9R,12S,14S,16R)-5-ethenyl-14-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-11-one
Manual XrefsDatabases
163787ChemSpider
Registry NumbersSources
CAS:62394-07-4ChemIDplus