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CHEBI:228086 - Penicieudesmol E

ChEBI IDCHEBI:228086
ChEBI NamePenicieudesmol E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H28O4
Net Charge0
Average Mass272.385
Monoisotopic Mass272.19876
SMILESC[C@@H]1C[C@@H](O)[C@H](O)[C@@]2(C)CC[C@H](C(C)(O)CO)C[C@H]12
InChIInChI=1S/C15H28O4/c1-9-6-12(17)13(18)14(2)5-4-10(7-11(9)14)15(3,19)8-16/h9-13,16-19H,4-8H2,1-3H3/t9-,10+,11-,12-,13+,14+,15?/m1/s1
InChIKeyCRXFQLRTUUVXSD-ORPFEIRQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.phytol.2019.07.005)
ChEBI Ontology
Outgoing Relation(s)
Penicieudesmol E (CHEBI:228086) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(1R,2R,4R,4aR,6S,8aS)-6-(1,2-dihydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,2-diol